2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid

C10H9N5O4 — CID 62792673

IUPAC2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid
SMILESNc1n[nH]c(C(=O)Nc2ccc(O)cc2C(=O)O)n1
InChIInChI=1S/C10H9N5O4/c11-10-13-7(14-15-10)8(17)12-6-2-1-4(16)3-5(6)9(18)19/h1-3,16H,(H,12,17)(H,18,19)(H3,11,13,14,15)
InChIKeyNEXZUDKPQSQMFP-UHFFFAOYSA-N
MW263.21 g/mol
LogP0.04
Rot. Bonds3

About 2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid

2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid (PubChem CID 62792673) has the molecular formula C10H9N5O4 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid
PubChem CID62792673
Molecular FormulaC10H9N5O4
Molecular Weight263.21 g/mol
Exact Mass263.07
IUPAC Name2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid
SMILESNc1n[nH]c(C(=O)Nc2ccc(O)cc2C(=O)O)n1
InChIInChI=1S/C10H9N5O4/c11-10-13-7(14-15-10)8(17)12-6-2-1-4(16)3-5(6)9(18)19/h1-3,16H,(H,12,17)(H,18,19)(H3,11,13,14,15)
InChIKeyNEXZUDKPQSQMFP-UHFFFAOYSA-N
XLogP0.04
TPSA154.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 50.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-iodobenzoic acid
CID 63111547
5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
CID 63652944
3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62873358
3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807152
4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-chloro-2-methoxybenzoic acid
CID 62792658
5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 65199858
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308
3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807336
3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808092
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807691
2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63746198

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid (CID 62792673) is 2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid is Nc1n[nH]c(C(=O)Nc2ccc(O)cc2C(=O)O)n1.
What is the InChIKey of 2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid?
The InChIKey is NEXZUDKPQSQMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O4/c11-10-13-7(14-15-10)8(17)12-6-2-1-4(16)3-5(6)9(18)19/h1-3,16H,(H,12,17)(H,18,19)(H3,11,13,14,15).
What are the key properties of 2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid?
2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid has a molecular weight of 263.21 g/mol, XLogP of 0.04, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 62792673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).