1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide

C20H22N4O — CID 119046922

IUPAC1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
SMILESCCc1ccc(Cn2nnc(C(=O)Nc3ccccc3C)c2C)cc1
InChIInChI=1S/C20H22N4O/c1-4-16-9-11-17(12-10-16)13-24-15(3)19(22-23-24)20(25)21-18-8-6-5-7-14(18)2/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKeyKLLGSGRSJHZMTD-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.76
Rot. Bonds5

About 1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide

1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide (PubChem CID 119046922) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
PubChem CID119046922
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
SMILESCCc1ccc(Cn2nnc(C(=O)Nc3ccccc3C)c2C)cc1
InChIInChI=1S/C20H22N4O/c1-4-16-9-11-17(12-10-16)13-24-15(3)19(22-23-24)20(25)21-18-8-6-5-7-14(18)2/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKeyKLLGSGRSJHZMTD-UHFFFAOYSA-N
XLogP3.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
CID 53101181
1-[(4-ethylphenyl)methyl]-N-[(2S)-2-hydroxypropyl]-5-methyltriazole-4-carboxamide
CID 119047859
4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide
CID 8872279
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 124841815
N-[2-chloro-5-(hydroxymethyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 42603252
1-[(4-ethylphenyl)methyl]-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyltriazole-4-carboxamide
CID 124849658
1-benzyl-N-[3-(hydroxymethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 42603124
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 155949471
4-[(1-benzyl-5-methyltriazole-4-carbonyl)amino]phthalic acid
CID 67381998
1-[(4-ethylphenyl)methyl]-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyltriazole-4-carboxamide
CID 119047806
1-[(4-ethylphenyl)methyl]-5-methyl-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]triazole-4-carboxamide
CID 124846537
N-(2-ethylphenyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 53366240

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide (CID 119046922) is 1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide is CCc1ccc(Cn2nnc(C(=O)Nc3ccccc3C)c2C)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
The InChIKey is KLLGSGRSJHZMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-16-9-11-17(12-10-16)13-24-15(3)19(22-23-24)20(25)21-18-8-6-5-7-14(18)2/h5-12H,4,13H2,1-3H3,(H,21,25).
What are the key properties of 1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 119046922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).