5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C8H6N6O3 — CID 55239598

IUPAC5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1-n1cncn1
InChIInChI=1S/C8H6N6O3/c9-7(15)6-1-5(14(16)17)2-11-8(6)13-4-10-3-12-13/h1-4H,(H2,9,15)
InChIKeyRBFIWKHMSNCDES-UHFFFAOYSA-N
MW234.18 g/mol
LogP-0.33
Rot. Bonds3

About 5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 55239598) has the molecular formula C8H6N6O3 and a molecular weight of 234.18 g/mol. Its IUPAC name is 5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID55239598
Molecular FormulaC8H6N6O3
Molecular Weight234.18 g/mol
Exact Mass234.05
IUPAC Name5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1-n1cncn1
InChIInChI=1S/C8H6N6O3/c9-7(15)6-1-5(14(16)17)2-11-8(6)13-4-10-3-12-13/h1-4H,(H2,9,15)
InChIKeyRBFIWKHMSNCDES-UHFFFAOYSA-N
XLogP-0.33
TPSA129.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-2-(1,2,4-triazol-1-yl)benzoic acid
CID 16789625
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide
CID 133344472
N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide
CID 76935233
methyl 5-nitro-2-(1,2,4-triazol-1-yl)benzoate
CID 122619408
1-(3-carbamoyl-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371889
2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133363039
1-(3-carbamoyl-5-nitro-2-pyridinyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776402
2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide
CID 55104538
2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935236
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280056
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-nitropyridine-3-carboxamide
CID 133344317
2-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133349682

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 55239598) is 5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cnc1-n1cncn1.
What is the InChIKey of 5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is RBFIWKHMSNCDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6O3/c9-7(15)6-1-5(14(16)17)2-11-8(6)13-4-10-3-12-13/h1-4H,(H2,9,15).
What are the key properties of 5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 234.18 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 55239598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).