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CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 6280-34-8, 5-cyclohexyl-1h-1,2,3,4-tetrazole, 5-cyclohexyl-1h-tetrazole, Nsc11115, Schembl2704429, Schembl13783347

Molecular Formula

C₇H₁₂N₄

Molecular Weight

152.20 g/mol

InChI Key

KIHDBKOCKDPBTR-UHFFFAOYSA-N

1 2D Structure

5-Cyclohexyl-2H-Tetrazole

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-cyclohexyl-2H-tetrazole

2.1.2 InChI

InChI=1S/C7H12N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h6H,1-5H2,(H,8,9,10,11)

2.1.3 InChI Key

KIHDBKOCKDPBTR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC(CC1)C2=NNN=N2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6280-34-8

2. 5-cyclohexyl-1h-1,2,3,4-tetrazole

3. 5-cyclohexyl-1h-tetrazole

4. Nsc11115

5. Schembl2704429

6. Schembl13783347

7. Dtxsid60279038

8. Zinc389676

9. Nsc-11115

10. Akos000263150

11. 5-cyclohexyl-2h-1,2,3,4-tetrazole

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₂N₄
Molecular Weight	152.20 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	152.106196400 g/mol
Monoisotopic Mass	152.106196400 g/mol
Topological Polar Surface Area	54.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	122
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