3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

C11H12N4O3 — CID 80716625

IUPAC3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncnn2C)cc1O
InChIInChI=1S/C11H12N4O3/c1-15-11(12-6-13-15)14-10(17)7-3-4-9(18-2)8(16)5-7/h3-6,16H,1-2H3,(H,12,13,14,17)
InChIKeyNNDWJTWKHMLPSZ-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.78
Rot. Bonds3

About 3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 80716625) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID80716625
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncnn2C)cc1O
InChIInChI=1S/C11H12N4O3/c1-15-11(12-6-13-15)14-10(17)7-3-4-9(18-2)8(16)5-7/h3-6,16H,1-2H3,(H,12,13,14,17)
InChIKeyNNDWJTWKHMLPSZ-UHFFFAOYSA-N
XLogP0.78
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80710118
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80709266
N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103800959
3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 103769476
3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 79737285
N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide
CID 103910805
4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide
CID 110473389
N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600826
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 103884841
N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide
CID 107595847
3-hydroxy-4-methoxy-N-(1,2-oxazol-3-yl)benzamide
CID 79725967

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (CID 80716625) is 3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is COc1ccc(C(=O)Nc2ncnn2C)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is NNDWJTWKHMLPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-15-11(12-6-13-15)14-10(17)7-3-4-9(18-2)8(16)5-7/h3-6,16H,1-2H3,(H,12,13,14,17).
What are the key properties of 3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 248.24 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 80716625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).