1-(4-methylcyclohexyl)-1,2,4-triazole

C9H15N3 — CID 58395197

IUPAC1-(4-methylcyclohexyl)-1,2,4-triazole
SMILESCC1CCC(n2cncn2)CC1
InChIInChI=1S/C9H15N3/c1-8-2-4-9(5-3-8)12-7-10-6-11-12/h6-9H,2-5H2,1H3
InChIKeyYLDNSKFGPLKHES-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.03
Rot. Bonds1

About 1-(4-methylcyclohexyl)-1,2,4-triazole

1-(4-methylcyclohexyl)-1,2,4-triazole (PubChem CID 58395197) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-1,2,4-triazole
PubChem CID58395197
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(4-methylcyclohexyl)-1,2,4-triazole
SMILESCC1CCC(n2cncn2)CC1
InChIInChI=1S/C9H15N3/c1-8-2-4-9(5-3-8)12-7-10-6-11-12/h6-9H,2-5H2,1H3
InChIKeyYLDNSKFGPLKHES-UHFFFAOYSA-N
XLogP2.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylcyclohexyl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-1,2,4-triazole?
The IUPAC name of 1-(4-methylcyclohexyl)-1,2,4-triazole (CID 58395197) is 1-(4-methylcyclohexyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-methylcyclohexyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-methylcyclohexyl)-1,2,4-triazole is CC1CCC(n2cncn2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-1,2,4-triazole?
The InChIKey is YLDNSKFGPLKHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-2-4-9(5-3-8)12-7-10-6-11-12/h6-9H,2-5H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-1,2,4-triazole?
1-(4-methylcyclohexyl)-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-1,2,4-triazole is sourced from PubChem (CID 58395197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).