1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide

C20H22N4O — CID 46858342

IUPAC1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NC(C)c3ccccc3)c2C)cc1C
InChIInChI=1S/C20H22N4O/c1-13-10-11-18(12-14(13)2)24-16(4)19(22-23-24)20(25)21-15(3)17-8-6-5-7-9-17/h5-12,15H,1-4H3,(H,21,25)
InChIKeyDPFGXDQSUOIZHP-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.68
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide

1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide (PubChem CID 46858342) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide
PubChem CID46858342
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NC(C)c3ccccc3)c2C)cc1C
InChIInChI=1S/C20H22N4O/c1-13-10-11-18(12-14(13)2)24-16(4)19(22-23-24)20(25)21-15(3)17-8-6-5-7-9-17/h5-12,15H,1-4H3,(H,21,25)
InChIKeyDPFGXDQSUOIZHP-UHFFFAOYSA-N
XLogP3.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 27245858
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 27261462
4-benzyl-2-(3,4-dimethylphenyl)-3,5-dioxo-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159132
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7534488
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 94595018
5-amino-1-(3-chlorophenyl)-N-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 40899499
1-(3-bromophenyl)-5-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]triazole-4-carboxamide
CID 55874489
N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858317
1-(3,4-dimethylphenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 16648808
1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
CID 9151795
1-(3,4-dimethylphenyl)-N-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858321
5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 11689324

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide (CID 46858342) is 1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)NC(C)c3ccccc3)c2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide?
The InChIKey is DPFGXDQSUOIZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-10-11-18(12-14(13)2)24-16(4)19(22-23-24)20(25)21-15(3)17-8-6-5-7-9-17/h5-12,15H,1-4H3,(H,21,25).
What are the key properties of 1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide?
1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 46858342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).