5-cyclohexyl-1H-1,2,4-triazole

C8H13N3 — CID 19067940

IUPAC5-cyclohexyl-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C8H13N3/c1-2-4-7(5-3-1)8-9-6-10-11-8/h6-7H,1-5H2,(H,9,10,11)
InChIKeyYZYJTQZIVRRSKM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.85
Rot. Bonds1

About 5-cyclohexyl-1H-1,2,4-triazole

5-cyclohexyl-1H-1,2,4-triazole (PubChem CID 19067940) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-cyclohexyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclohexyl-1H-1,2,4-triazole
PubChem CID19067940
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-cyclohexyl-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C8H13N3/c1-2-4-7(5-3-1)8-9-6-10-11-8/h6-7H,1-5H2,(H,9,10,11)
InChIKeyYZYJTQZIVRRSKM-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1H-1,2,4-triazol-5-amine
CID 3162005
3-Cyclobutyl-1H-1,2,4-triazole
CID 19067937
4-(4H-1,2,4-triazol-3-yl)piperidine
CID 56737789
3-Heptadecyl-1H-1,2,4-triazole
CID 558137
5-butyl-1H-1,2,4-triazole
CID 558187
rac-(1r,4r)-4-(1H-1,2,4-triazol-3-yl)cyclohexan-1-amine hydrochloride
CID 138991550
5-Cyclohexylmethyl-1H-[1,2,4]triazol-3-ylamine
CID 5204120
3,5-dicyclohexyl-1H-1,2,4-triazole
CID 61337945
(1r,4r)-4-(1h-1,2,4-Triazol-3-yl)cyclohexan-1-amine
CID 61361214
5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole
CID 157021514
5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine
CID 166140708
5-(1-fluoro-2-methylpropyl)-1H-1,2,4-triazole
CID 166858114

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1H-1,2,4-triazole?
The IUPAC name of 5-cyclohexyl-1H-1,2,4-triazole (CID 19067940) is 5-cyclohexyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclohexyl-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclohexyl-1H-1,2,4-triazole is c1n[nH]c(C2CCCCC2)n1.
What is the InChIKey of 5-cyclohexyl-1H-1,2,4-triazole?
The InChIKey is YZYJTQZIVRRSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-4-7(5-3-1)8-9-6-10-11-8/h6-7H,1-5H2,(H,9,10,11).
What are the key properties of 5-cyclohexyl-1H-1,2,4-triazole?
5-cyclohexyl-1H-1,2,4-triazole has a molecular weight of 151.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1H-1,2,4-triazole is sourced from PubChem (CID 19067940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).