6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide

C12H13N5O — CID 139220856

IUPAC6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide
SMILESNNC(=O)c1ccc(NNC=C2C=CC=C2)nc1
InChIInChI=1S/C12H13N5O/c13-16-12(18)10-5-6-11(14-8-10)17-15-7-9-3-1-2-4-9/h1-8,15H,13H2,(H,14,17)(H,16,18)
InChIKeyYPGBOGJJJGFMQV-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.61
Rot. Bonds4

About 6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide

6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide (PubChem CID 139220856) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide
PubChem CID139220856
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide
SMILESNNC(=O)c1ccc(NNC=C2C=CC=C2)nc1
InChIInChI=1S/C12H13N5O/c13-16-12(18)10-5-6-11(14-8-10)17-15-7-9-3-1-2-4-9/h1-8,15H,13H2,(H,14,17)(H,16,18)
InChIKeyYPGBOGJJJGFMQV-UHFFFAOYSA-N
XLogP0.61
TPSA92.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide?
The IUPAC name of 6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide (CID 139220856) is 6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide?
The canonical SMILES for 6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide is NNC(=O)c1ccc(NNC=C2C=CC=C2)nc1.
What is the InChIKey of 6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide?
The InChIKey is YPGBOGJJJGFMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-16-12(18)10-5-6-11(14-8-10)17-15-7-9-3-1-2-4-9/h1-8,15H,13H2,(H,14,17)(H,16,18).
What are the key properties of 6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide?
6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide has a molecular weight of 243.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclopenta-2,4-dien-1-ylidenemethyl)hydrazinyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 139220856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).