1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide

C18H24N4O — CID 134020397

IUPAC1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C18H24N4O/c1-14-8-6-7-11-17(14)21(2)18(23)16-13-22(20-19-16)12-15-9-4-3-5-10-15/h3-5,9-10,13-14,17H,6-8,11-12H2,1-2H3
InChIKeyPFTYQEYUTJYZKD-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.98
Rot. Bonds4

About 1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide

1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide (PubChem CID 134020397) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide
PubChem CID134020397
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C18H24N4O/c1-14-8-6-7-11-17(14)21(2)18(23)16-13-22(20-19-16)12-15-9-4-3-5-10-15/h3-5,9-10,13-14,17H,6-8,11-12H2,1-2H3
InChIKeyPFTYQEYUTJYZKD-UHFFFAOYSA-N
XLogP2.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[methyl-(2-methylcyclohexyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289181
1-[(3-fluorophenyl)methyl]-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]triazole-4-carboxamide
CID 97060940
(1-benzyltriazol-4-yl)-cyclohexylmethanone
CID 71763813
1-benzyltriazole-4-carbonyl chloride
CID 87720228
1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide
CID 43060445
N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide
CID 134004188
(3-methylcyclohexyl) 1-benzyltriazole-4-carboxylate
CID 78839377
1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 18152841
(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 71931378
1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide
CID 86917770
N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide
CID 26406270
[2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55516705

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide (CID 134020397) is 1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide is CC1CCCCC1N(C)C(=O)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide?
The InChIKey is PFTYQEYUTJYZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-8-6-7-11-17(14)21(2)18(23)16-13-22(20-19-16)12-15-9-4-3-5-10-15/h3-5,9-10,13-14,17H,6-8,11-12H2,1-2H3.
What are the key properties of 1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide?
1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide is sourced from PubChem (CID 134020397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).