8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

C13H13N3O — CID 59751944

IUPAC8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESO=c1[nH]nc(-c2ccccc2)c2c1CCCN2
InChIInChI=1S/C13H13N3O/c17-13-10-7-4-8-14-12(10)11(15-16-13)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2,(H,16,17)
InChIKeyBBXLNRWLJMHSCH-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.79
Rot. Bonds1

About 8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 59751944) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID59751944
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESO=c1[nH]nc(-c2ccccc2)c2c1CCCN2
InChIInChI=1S/C13H13N3O/c17-13-10-7-4-8-14-12(10)11(15-16-13)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2,(H,16,17)
InChIKeyBBXLNRWLJMHSCH-UHFFFAOYSA-N
XLogP1.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 59751944) is 8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is O=c1[nH]nc(-c2ccccc2)c2c1CCCN2.
What is the InChIKey of 8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is BBXLNRWLJMHSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-13-10-7-4-8-14-12(10)11(15-16-13)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2,(H,16,17).
What are the key properties of 8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 227.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 59751944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).