N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide

C17H22N4O — CID 134004188

IUPACN-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-13-8-6-7-11-16(13)20(2)17(22)15-12-18-21(19-15)14-9-4-3-5-10-14/h3-5,9-10,12-13,16H,6-8,11H2,1-2H3
InChIKeyXRNJXMROWSJNOB-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.92
Rot. Bonds3

About N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide

N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide (PubChem CID 134004188) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide
PubChem CID134004188
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-13-8-6-7-11-16(13)20(2)17(22)15-12-18-21(19-15)14-9-4-3-5-10-14/h3-5,9-10,12-13,16H,6-8,11H2,1-2H3
InChIKeyXRNJXMROWSJNOB-UHFFFAOYSA-N
XLogP2.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
1-[methyl-(2-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539616
1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide
CID 134020397
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119597279
N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide
CID 115532708
2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119825765
N-butyl-N-methyl-2-phenyltriazole-4-carboxamide
CID 110702374
N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide
CID 94813213
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenyltriazole-4-carboxamide
CID 110702370
N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide
CID 115880818
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide
CID 18165130
N,1-dimethyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 134004086

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide (CID 134004188) is N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide is CC1CCCCC1N(C)C(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is XRNJXMROWSJNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-8-6-7-11-16(13)20(2)17(22)15-12-18-21(19-15)14-9-4-3-5-10-14/h3-5,9-10,12-13,16H,6-8,11H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide?
N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 134004188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).