5-(cyclohexylmethyl)-1H-1,2,4-triazole

C9H15N3 — CID 118564354

IUPAC5-(cyclohexylmethyl)-1H-1,2,4-triazole
SMILESc1n[nH]c(CC2CCCCC2)n1
InChIInChI=1S/C9H15N3/c1-2-4-8(5-3-1)6-9-10-7-11-12-9/h7-8H,1-6H2,(H,10,11,12)
InChIKeyKJUCIBDAJPWXLI-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.93
Rot. Bonds2

About 5-(cyclohexylmethyl)-1H-1,2,4-triazole

5-(cyclohexylmethyl)-1H-1,2,4-triazole (PubChem CID 118564354) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-1H-1,2,4-triazole
PubChem CID118564354
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-(cyclohexylmethyl)-1H-1,2,4-triazole
SMILESc1n[nH]c(CC2CCCCC2)n1
InChIInChI=1S/C9H15N3/c1-2-4-8(5-3-1)6-9-10-7-11-12-9/h7-8H,1-6H2,(H,10,11,12)
InChIKeyKJUCIBDAJPWXLI-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(cyclohexylmethyl)-1H-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 5-(cyclohexylmethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(cyclohexylmethyl)-1H-1,2,4-triazole (CID 118564354) is 5-(cyclohexylmethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(cyclohexylmethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(cyclohexylmethyl)-1H-1,2,4-triazole is c1n[nH]c(CC2CCCCC2)n1.
What is the InChIKey of 5-(cyclohexylmethyl)-1H-1,2,4-triazole?
The InChIKey is KJUCIBDAJPWXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-4-8(5-3-1)6-9-10-7-11-12-9/h7-8H,1-6H2,(H,10,11,12).
What are the key properties of 5-(cyclohexylmethyl)-1H-1,2,4-triazole?
5-(cyclohexylmethyl)-1H-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 118564354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).