N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide

C18H18N4O — CID 18114006

IUPACN-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C18H18N4O/c1-14-8-6-7-9-15(14)13-21(2)18(23)17-12-19-22(20-17)16-10-4-3-5-11-16/h3-12H,13H2,1-2H3
InChIKeyDRJJFXSQAYRUGQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.85
Rot. Bonds4

About N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide

N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide (PubChem CID 18114006) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide
PubChem CID18114006
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C18H18N4O/c1-14-8-6-7-9-15(14)13-21(2)18(23)17-12-19-22(20-17)16-10-4-3-5-11-16/h3-12H,13H2,1-2H3
InChIKeyDRJJFXSQAYRUGQ-UHFFFAOYSA-N
XLogP2.85
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31899986
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75485191
N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
N-butyl-N-methyl-2-phenyltriazole-4-carboxamide
CID 110702374
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18114053
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide
CID 51177702
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide
CID 51175226
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60830670
N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenyltriazole-4-carboxamide
CID 8850091
N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide
CID 115771807
2-[(2-phenyltriazole-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 79271201

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide (CID 18114006) is N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide is Cc1ccccc1CN(C)C(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is DRJJFXSQAYRUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-14-8-6-7-9-15(14)13-21(2)18(23)17-12-19-22(20-17)16-10-4-3-5-11-16/h3-12H,13H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide?
N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 18114006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).