1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile

C10H14N4 — CID 64773861

IUPAC1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile
SMILESCC1CCC(n2cnc(C#N)n2)CC1
InChIInChI=1S/C10H14N4/c1-8-2-4-9(5-3-8)14-7-12-10(6-11)13-14/h7-9H,2-5H2,1H3
InChIKeyCHGQICOTNWPMHR-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.90
Rot. Bonds1

About 1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile

1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile (PubChem CID 64773861) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile
PubChem CID64773861
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile
SMILESCC1CCC(n2cnc(C#N)n2)CC1
InChIInChI=1S/C10H14N4/c1-8-2-4-9(5-3-8)14-7-12-10(6-11)13-14/h7-9H,2-5H2,1H3
InChIKeyCHGQICOTNWPMHR-UHFFFAOYSA-N
XLogP1.90
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile 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-3-carbonitrile?
The IUPAC name of 1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile (CID 64773861) is 1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile is CC1CCC(n2cnc(C#N)n2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile?
The InChIKey is CHGQICOTNWPMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8-2-4-9(5-3-8)14-7-12-10(6-11)13-14/h7-9H,2-5H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile?
1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 64773861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).