6-oxo-1H-pyridazine-3-carbonitrile

C5H3N3O — CID 22636611

IUPAC6-oxo-1H-pyridazine-3-carbonitrile
SMILESN#Cc1ccc(=O)[nH]n1
InChIInChI=1S/C5H3N3O/c6-3-4-1-2-5(9)8-7-4/h1-2H,(H,8,9)
InChIKeyZZONMTHZRYNTMT-UHFFFAOYSA-N
MW121.10 g/mol
LogP-0.36
Rot. Bonds

About 6-oxo-1H-pyridazine-3-carbonitrile

6-oxo-1H-pyridazine-3-carbonitrile (PubChem CID 22636611) has the molecular formula C5H3N3O and a molecular weight of 121.10 g/mol. Its IUPAC name is 6-oxo-1H-pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-oxo-1H-pyridazine-3-carbonitrile
PubChem CID22636611
Molecular FormulaC5H3N3O
Molecular Weight121.10 g/mol
Exact Mass121.03
IUPAC Name6-oxo-1H-pyridazine-3-carbonitrile
SMILESN#Cc1ccc(=O)[nH]n1
InChIInChI=1S/C5H3N3O/c6-3-4-1-2-5(9)8-7-4/h1-2H,(H,8,9)
InChIKeyZZONMTHZRYNTMT-UHFFFAOYSA-N
XLogP-0.36
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-oxo-1H-pyridazine-3-carbonitrile 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-oxo-1H-pyridazine-3-carbonitrile?
The IUPAC name of 6-oxo-1H-pyridazine-3-carbonitrile (CID 22636611) is 6-oxo-1H-pyridazine-3-carbonitrile.
What is the SMILES notation for 6-oxo-1H-pyridazine-3-carbonitrile?
The canonical SMILES for 6-oxo-1H-pyridazine-3-carbonitrile is N#Cc1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-1H-pyridazine-3-carbonitrile?
The InChIKey is ZZONMTHZRYNTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O/c6-3-4-1-2-5(9)8-7-4/h1-2H,(H,8,9).
What are the key properties of 6-oxo-1H-pyridazine-3-carbonitrile?
6-oxo-1H-pyridazine-3-carbonitrile has a molecular weight of 121.10 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1H-pyridazine-3-carbonitrile is sourced from PubChem (CID 22636611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).