N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

C17H16N4O3 — CID 15944274

IUPACN-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C17H16N4O3/c1-23-14-9-8-12(10-15(14)24-2)19-17(22)16-18-11-21(20-16)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,22)
InChIKeyXHNLGWAHPGHSEY-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.54
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 15944274) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID15944274
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C17H16N4O3/c1-23-14-9-8-12(10-15(14)24-2)19-17(22)16-18-11-21(20-16)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,22)
InChIKeyXHNLGWAHPGHSEY-UHFFFAOYSA-N
XLogP2.54
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 2984874
N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 139472699
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
2-methoxy-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzoic acid
CID 134589387
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166217474
N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
CID 134589371
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 15944274) is N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is COc1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is XHNLGWAHPGHSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-14-9-8-12(10-15(14)24-2)19-17(22)16-18-11-21(20-16)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 15944274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).