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

C10H10N4O3 — CID 83086537

IUPAC2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1n[nH]c(NC(=O)c2ccccc2O)n1
InChIInChI=1S/C10H10N4O3/c1-17-10-12-9(13-14-10)11-8(16)6-4-2-3-5-7(6)15/h2-5,15H,1H3,(H2,11,12,13,14,16)
InChIKeyPMUNZOXXOXEWNO-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.77
Rot. Bonds3

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

2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 83086537) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
PubChem CID83086537
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1n[nH]c(NC(=O)c2ccccc2O)n1
InChIInChI=1S/C10H10N4O3/c1-17-10-12-9(13-14-10)11-8(16)6-4-2-3-5-7(6)15/h2-5,15H,1H3,(H2,11,12,13,14,16)
InChIKeyPMUNZOXXOXEWNO-UHFFFAOYSA-N
XLogP0.77
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 107724991
3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
CID 83101038
2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83092939
3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 83093710
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide
CID 83092656
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 83093523
2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide
CID 106688417
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-methyl-2-nitrobenzamide
CID 83092359
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 83101088
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1H-indazole-3-carboxamide
CID 83086847
N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide
CID 83102478
4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 112631345

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide (CID 83086537) is 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide is COc1n[nH]c(NC(=O)c2ccccc2O)n1.
What is the InChIKey of 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is PMUNZOXXOXEWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-17-10-12-9(13-14-10)11-8(16)6-4-2-3-5-7(6)15/h2-5,15H,1H3,(H2,11,12,13,14,16).
What are the key properties of 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 234.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 83086537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).