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CAS 288-88-0

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2 End Use APIs
5 Related Intermediates

Chemistry

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Also known as: 1h-1,2,4-triazole, 288-88-0, 4h-1,2,4-triazole, Pyrrodiazole, S-triazole, 1,2,4-1h-triazole

Molecular Formula

C₂H₃N₃

Molecular Weight

69.07 g/mol

InChI Key

NSPMIYGKQJPBQR-UHFFFAOYSA-N

FDA UNII

10MS0Y1RDI

1 2D Structure

CAS 288-88-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1H-1,2,4-triazole

2.1.2 InChI

InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)

2.1.3 InChI Key

NSPMIYGKQJPBQR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=NC=NN1

2.2 Other Identifiers

2.2.1 UNII

10MS0Y1RDI

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,2,4-triazole, Potassium Salt

2.3.2 Depositor-Supplied Synonyms

1. 1h-1,2,4-triazole

2. 288-88-0

3. 4h-1,2,4-triazole

4. Pyrrodiazole

5. S-triazole

6. 1,2,4-1h-triazole

7. 63598-71-0

8. Mfcd00005228

9. Nsc 83128

10. Dtxsid6027131

11. Peptone, Bacteriological

12. 1h-[1,2,4]triazole

13. 10ms0y1rdi

14. Chebi:46077

15. Nsc-83128

16. (1,2,4)-triazole

17. [1,2,4]-triazole

18. 736917-78-5

19. 1,2,4 Triazole

20. 1h-1,2,4-triazol

21. 1,2,4-triazol

22. 4h-1,2,4-triazole (van)

23. Einecs 206-022-9

24. Unii-10ms0y1rdi

25. Ai3-51031

26. Hsdb 7860

27. 1,4-triazole

28. 1,2,4triazole

29. 1,3,4-triazole

30. 1h-1,4-triazole

31. 4h-1,4-triazole

32. [1,2,4]triazole

33. 1,2, 4-triazole

34. 1,2,4,-triazole

35. [1,2,4]triazol

36. [1.2.4]-triazole

37. 1, 2, 4 Triazole

38. [1,2,4]-triazol

39. 1,2,4-1h Triazole

40. Dsstox_cid_7131

41. Ec 206-022-9

42. 4h-[1,2,4]triazole

43. Dsstox_rid_78318

44. Dsstox_gsid_27131

45. 1h-[1,2,4]-triazole

46. Chembl15571

47. 1,2,4-triazole, 98%

48. Niosh/xz3807000

49. Chebi:35550

50. Efinaconazole Metabolite H1

51. Amy40414

52. Bcp20885

53. Cs-d1150

54. Nsc83128

55. Triazole, 1h,1,2,4-

56. Zinc5943507

57. Tox21_300113

58. Cga-71019

59. Mfcd01941334

60. Stk366100

61. 1,2,4-triazole, Analytical Standard

62. 1h-1,2,4-triazole [mi]

63. Akos000120326

64. Akos000269054

65. 1h-1,2,4-triazole [hsdb]

66. Db03594

67. Ps-9377

68. Ncgc00247903-01

69. Ncgc00254087-01

70. Bp-12667

71. Cas-288-88-0

72. Sy001414

73. Db-002017

74. Bb 0267986

75. Cs-0368547

76. Ft-0607865

77. T0340

78. Xz38070000

79. 88t880

80. E76126

81. T-6200

82. 1,2,4-triazole, Vetec(tm) Reagent Grade, 98%

83. A819652

84. Q161300

85. F1918-0085

86. Z1245636363

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂H₃N₃
Molecular Weight	69.07 g/mol
XLogP3	-0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	69.032697108 g/mol
Monoisotopic Mass	69.032697108 g/mol
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	28.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 Absorption, Distribution and Excretion

After a single oral administration of 1 mg/kg bw (test substance (14)C-labeled) to male rats (strain not given), approx 100% of the (14)C activity was absorbed from the digestive tract.

European Commission, ESIS; IUCLID Dataset, 1,2,4-Triazole (288-88-0) p.17 (2000 CD-ROM edition). Available from, as of September 23, 2010: https://esis.jrc.ec.europa.eu/

8 hr after a single iv administration of 1 mg/kg bw (test substance (14)C-labeled) to male rats (strain not given), approx 50% of the applied radioactivity was detectable in the body of the animals (gastrointestinal tract not considered). 3 days after the application approx 1.5% of the applied activity could be found, and after 6 days the (14)C-activity was no longer measurable (detection limit 0.3%).

European Commission, ESIS; IUCLID Dataset, 1,2,4-Triazole (288-88-0) p.17 (2000 CD-ROM edition). Available from, as of September 23, 2010: https://esis.jrc.ec.europa.eu/

Following a single oral or iv administration of 1 mg/kg bw (test substance (14)C-labeled) to male rats (strain not given), approx. 0.1% of the (14)C-activity was exhaled within 30 hr.

European Commission, ESIS; IUCLID Dataset, 1,2,4-Triazole (288-88-0) p.17 (2000 CD-ROM edition). Available from, as of September 23, 2010: https://esis.jrc.ec.europa.eu/

1H-1,2,4-Triazole (14)C-labeled was administered to male rats orally (dose: 1 mg/kg bw) or iv (doses: 0.1, 1, 10, 100 mg/kg bw). Within 48 hr after the single application 92-94% of the (14)C-activity was excreted with the urine and 3-5% with the feces, regardless whether the substance was applied orally or iv.

European Commission, ESIS; IUCLID Dataset, 1,2,4-Triazole (288-88-0) p.17 (2000 CD-ROM edition). Available from, as of September 23, 2010: https://esis.jrc.ec.europa.eu/

For more Absorption, Distribution and Excretion (Complete) data for 1H-1,2,4-Triazole (6 total), please visit the HSDB record page.

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