3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

C11H12N4O3 — CID 79673258

IUPAC3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c(C)n2)cc1O
InChIInChI=1S/C11H12N4O3/c1-6-12-11(15-14-6)13-10(17)7-3-4-9(18-2)8(16)5-7/h3-5,16H,1-2H3,(H2,12,13,14,15,17)
InChIKeySXAKXLIDTOKINH-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.08
Rot. Bonds3

About 3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 79673258) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID79673258
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c(C)n2)cc1O
InChIInChI=1S/C11H12N4O3/c1-6-12-11(15-14-6)13-10(17)7-3-4-9(18-2)8(16)5-7/h3-5,16H,1-2H3,(H2,12,13,14,15,17)
InChIKeySXAKXLIDTOKINH-UHFFFAOYSA-N
XLogP1.08
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928120
3-chloro-4,5-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927573
4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 112705907
2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928069
3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103736115
N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600826
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737466
3-hydroxy-4-methoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115674958
5-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 79003749
4-(bromomethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 102851939
3-hydroxy-4-methoxy-N-(2,3,5-trifluorophenyl)benzamide
CID 79735123
4-chloro-3-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927700

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 79673258) is 3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is COc1ccc(C(=O)Nc2n[nH]c(C)n2)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is SXAKXLIDTOKINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-6-12-11(15-14-6)13-10(17)7-3-4-9(18-2)8(16)5-7/h3-5,16H,1-2H3,(H2,12,13,14,15,17).
What are the key properties of 3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 248.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 79673258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).