N'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide

C9H8N6O2 — CID 764523

IUPACN'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1ncn[nH]1)c1ccncc1
InChIInChI=1S/C9H8N6O2/c16-8(6-1-3-10-4-2-6)14-15-9(17)7-11-5-12-13-7/h1-5H,(H,14,16)(H,15,17)(H,11,12,13)
InChIKeyRROBWFUTDWFUII-UHFFFAOYSA-N
MW232.20 g/mol
LogP-0.73
Rot. Bonds2

About N'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide

N'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide (PubChem CID 764523) has the molecular formula C9H8N6O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is N'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide
PubChem CID764523
Molecular FormulaC9H8N6O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC NameN'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1ncn[nH]1)c1ccncc1
InChIInChI=1S/C9H8N6O2/c16-8(6-1-3-10-4-2-6)14-15-9(17)7-11-5-12-13-7/h1-5H,(H,14,16)(H,15,17)(H,11,12,13)
InChIKeyRROBWFUTDWFUII-UHFFFAOYSA-N
XLogP-0.73
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide (CID 764523) is N'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide is O=C(NNC(=O)c1ncn[nH]1)c1ccncc1.
What is the InChIKey of N'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide?
The InChIKey is RROBWFUTDWFUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O2/c16-8(6-1-3-10-4-2-6)14-15-9(17)7-11-5-12-13-7/h1-5H,(H,14,16)(H,15,17)(H,11,12,13).
What are the key properties of N'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide?
N'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide has a molecular weight of 232.20 g/mol, XLogP of -0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-1,2,4-triazole-5-carbonyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 764523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).