1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide

C17H26N6O — CID 42465167

IUPAC1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide
SMILESCc1nccn1CCN(C)C(=O)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C17H26N6O/c1-14-18-8-9-22(14)11-10-21(2)17(24)16-13-23(20-19-16)12-15-6-4-3-5-7-15/h8-9,13,15H,3-7,10-12H2,1-2H3
InChIKeyZFPVGPBRBZVSLD-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.14
Rot. Bonds6

About 1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide

1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide (PubChem CID 42465167) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide
PubChem CID42465167
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide
SMILESCc1nccn1CCN(C)C(=O)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C17H26N6O/c1-14-18-8-9-22(14)11-10-21(2)17(24)16-13-23(20-19-16)12-15-6-4-3-5-7-15/h8-9,13,15H,3-7,10-12H2,1-2H3
InChIKeyZFPVGPBRBZVSLD-UHFFFAOYSA-N
XLogP2.14
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide (CID 42465167) is 1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide is Cc1nccn1CCN(C)C(=O)c1cn(CC2CCCCC2)nn1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide?
The InChIKey is ZFPVGPBRBZVSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-14-18-8-9-22(14)11-10-21(2)17(24)16-13-23(20-19-16)12-15-6-4-3-5-7-15/h8-9,13,15H,3-7,10-12H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide?
1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 42465167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).