N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide

C9H7N5O4 — CID 103894307

IUPACN-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1ncn[nH]1
InChIInChI=1S/C9H7N5O4/c15-7-2-1-5(14(17)18)3-6(7)12-9(16)8-10-4-11-13-8/h1-4,15H,(H,12,16)(H,10,11,13)
InChIKeyZKQIHSKCHWSUKU-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.67
Rot. Bonds3

About N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide

N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 103894307) has the molecular formula C9H7N5O4 and a molecular weight of 249.19 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID103894307
Molecular FormulaC9H7N5O4
Molecular Weight249.19 g/mol
Exact Mass249.05
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1ncn[nH]1
InChIInChI=1S/C9H7N5O4/c15-7-2-1-5(14(17)18)3-6(7)12-9(16)8-10-4-11-13-8/h1-4,15H,(H,12,16)(H,10,11,13)
InChIKeyZKQIHSKCHWSUKU-UHFFFAOYSA-N
XLogP0.67
TPSA134.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 755004
4-chloro-N-(2-hydroxy-5-nitrophenyl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803794
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide
CID 103894425
N-(2-hydroxy-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
4-nitro-2-(1H-1,2,4-triazol-5-yl)phenol
CID 137048656
3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide
CID 136812224
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
3-amino-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744509
N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide
CID 103863259
N-[(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
CID 4165558

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide (CID 103894307) is N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ncn[nH]1.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ZKQIHSKCHWSUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O4/c15-7-2-1-5(14(17)18)3-6(7)12-9(16)8-10-4-11-13-8/h1-4,15H,(H,12,16)(H,10,11,13).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 249.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 103894307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).