1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide

C10H16N4O — CID 145225078

IUPAC1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CC2CCCCC2)n1
InChIInChI=1S/C10H16N4O/c11-9(15)10-12-7-14(13-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,11,15)
InChIKeyCKHYZPDCOBUCPL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.96
Rot. Bonds3

About 1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide

1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 145225078) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide
PubChem CID145225078
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CC2CCCCC2)n1
InChIInChI=1S/C10H16N4O/c11-9(15)10-12-7-14(13-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,11,15)
InChIKeyCKHYZPDCOBUCPL-UHFFFAOYSA-N
XLogP0.96
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide 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-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide (CID 145225078) is 1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn(CC2CCCCC2)n1.
What is the InChIKey of 1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is CKHYZPDCOBUCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-9(15)10-12-7-14(13-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,11,15).
What are the key properties of 1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide?
1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 145225078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).