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'}

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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).