4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile

C11H10N4O — CID 168994477

IUPAC4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile
SMILESN#CCCCc1n[nH]c(=O)c2cccnc12
InChIInChI=1S/C11H10N4O/c12-6-2-1-5-9-10-8(4-3-7-13-10)11(16)15-14-9/h3-4,7H,1-2,5H2,(H,15,16)
InChIKeyGQMONOYXYNUIIE-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.16
Rot. Bonds3

About 4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile

4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile (PubChem CID 168994477) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile.

Molecular Properties

Compound Name4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile
PubChem CID168994477
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile
SMILESN#CCCCc1n[nH]c(=O)c2cccnc12
InChIInChI=1S/C11H10N4O/c12-6-2-1-5-9-10-8(4-3-7-13-10)11(16)15-14-9/h3-4,7H,1-2,5H2,(H,15,16)
InChIKeyGQMONOYXYNUIIE-UHFFFAOYSA-N
XLogP1.16
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile 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'-[(1E)-pyridin-2-ylmethylene]isonicotinohydrazide
CID 5469565
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295
N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 5333835
3-Quinolinecarboxamide
CID 15561101
N-Piperidin-1-yl-nicotinamide
CID 787224
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-3-yl)methanone
CID 3078467
6-Methylnicotinamide
CID 96351
Benzoic (3-pyridylmethylene)hydrazide
CID 6870931
Di-2-pyridyl ketone benzoylhydrazone
CID 688285
2-Methylnicotinamide
CID 12243705
N-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide
CID 6879789
N'-(2-Pyridylmethylene)nicotinohydrazide
CID 6885183

Frequently Asked Questions

What is the IUPAC name of 4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile?
The IUPAC name of 4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile (CID 168994477) is 4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile.
What is the SMILES notation for 4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile?
The canonical SMILES for 4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile is N#CCCCc1n[nH]c(=O)c2cccnc12.
What is the InChIKey of 4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile?
The InChIKey is GQMONOYXYNUIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-6-2-1-5-9-10-8(4-3-7-13-10)11(16)15-14-9/h3-4,7H,1-2,5H2,(H,15,16).
What are the key properties of 4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile?
4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile has a molecular weight of 214.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)butanenitrile is sourced from PubChem (CID 168994477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).