5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid

C10H8N4O4 — CID 63652944

IUPAC5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1ncn[nH]1
InChIInChI=1S/C10H8N4O4/c15-5-1-2-7(6(3-5)10(17)18)13-9(16)8-11-4-12-14-8/h1-4,15H,(H,13,16)(H,17,18)(H,11,12,14)
InChIKeyUOYGIIOICFYTEW-UHFFFAOYSA-N
MW248.20 g/mol
LogP0.46
Rot. Bonds3

About 5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid

5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid (PubChem CID 63652944) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is 5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
PubChem CID63652944
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC Name5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1ncn[nH]1
InChIInChI=1S/C10H8N4O4/c15-5-1-2-7(6(3-5)10(17)18)13-9(16)8-11-4-12-14-8/h1-4,15H,(H,13,16)(H,17,18)(H,11,12,14)
InChIKeyUOYGIIOICFYTEW-UHFFFAOYSA-N
XLogP0.46
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
CID 63652241
4,5-dimethoxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
CID 63648089
3-fluoro-4-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
CID 63652950
2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid
CID 62792673
N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 755004
N-(2,4-diiodophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 71960344
N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 56857585
N-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 804912
N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779758
5-hydroxy-2-(oxaloamino)benzoic acid
CID 20651558
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 107000026
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid?
The IUPAC name of 5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid (CID 63652944) is 5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid.
What is the SMILES notation for 5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid?
The canonical SMILES for 5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid is O=C(Nc1ccc(O)cc1C(=O)O)c1ncn[nH]1.
What is the InChIKey of 5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid?
The InChIKey is UOYGIIOICFYTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4/c15-5-1-2-7(6(3-5)10(17)18)13-9(16)8-11-4-12-14-8/h1-4,15H,(H,13,16)(H,17,18)(H,11,12,14).
What are the key properties of 5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid?
5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid has a molecular weight of 248.20 g/mol, XLogP of 0.46, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid is sourced from PubChem (CID 63652944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).