5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide

C25H24N4O2 — CID 14772191

IUPAC5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide
SMILESCCc1ccccc1-c1nc(-c2cccc(OC)c2)nn1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H24N4O2/c1-4-18-8-5-6-11-22(18)24-27-23(19-9-7-10-21(16-19)31-3)28-29(24)25(30)26-20-14-12-17(2)13-15-20/h5-16H,4H2,1-3H3,(H,26,30)
InChIKeyBAMLSZBEANVJGS-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.57
Rot. Bonds5

About 5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide

5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide (PubChem CID 14772191) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide
PubChem CID14772191
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide
SMILESCCc1ccccc1-c1nc(-c2cccc(OC)c2)nn1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H24N4O2/c1-4-18-8-5-6-11-22(18)24-27-23(19-9-7-10-21(16-19)31-3)28-29(24)25(30)26-20-14-12-17(2)13-15-20/h5-16H,4H2,1-3H3,(H,26,30)
InChIKeyBAMLSZBEANVJGS-UHFFFAOYSA-N
XLogP5.57
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 3723670
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
[5-[(2-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(3-methoxyphenyl)methanone
CID 5138554
2-(3-methoxyphenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033117
1-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-(4-methylphenyl)urea
CID 7261153
3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide
CID 5309448
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
3,5-dimethoxy-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 46090564
1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea
CID 168974151
N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3742791
N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 39862810
N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356398

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide?
The IUPAC name of 5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide (CID 14772191) is 5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide is CCc1ccccc1-c1nc(-c2cccc(OC)c2)nn1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide?
The InChIKey is BAMLSZBEANVJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-4-18-8-5-6-11-22(18)24-27-23(19-9-7-10-21(16-19)31-3)28-29(24)25(30)26-20-14-12-17(2)13-15-20/h5-16H,4H2,1-3H3,(H,26,30).
What are the key properties of 5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide?
5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 14772191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).