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

C10H10N4O4 — CID 107724991

IUPAC2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1n[nH]c(NC(=O)c2cc(O)ccc2O)n1
InChIInChI=1S/C10H10N4O4/c1-18-10-12-9(13-14-10)11-8(17)6-4-5(15)2-3-7(6)16/h2-4,15-16H,1H3,(H2,11,12,13,14,17)
InChIKeyAAKXXDFHTWESHN-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.48
Rot. Bonds3

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

2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 107724991) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
PubChem CID107724991
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1n[nH]c(NC(=O)c2cc(O)ccc2O)n1
InChIInChI=1S/C10H10N4O4/c1-18-10-12-9(13-14-10)11-8(17)6-4-5(15)2-3-7(6)16/h2-4,15-16H,1H3,(H2,11,12,13,14,17)
InChIKeyAAKXXDFHTWESHN-UHFFFAOYSA-N
XLogP0.48
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide (CID 107724991) is 2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide is COc1n[nH]c(NC(=O)c2cc(O)ccc2O)n1.
What is the InChIKey of 2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is AAKXXDFHTWESHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-18-10-12-9(13-14-10)11-8(17)6-4-5(15)2-3-7(6)16/h2-4,15-16H,1H3,(H2,11,12,13,14,17).
What are the key properties of 2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 250.21 g/mol, XLogP of 0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 107724991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).