6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one

C20H15N3O — CID 14241243

IUPAC6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one
SMILESO=c1c2cnncc2c(-c2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C20H15N3O/c24-20-18-12-22-21-11-17(18)19(16-9-5-2-6-10-16)14-23(20)13-15-7-3-1-4-8-15/h1-12,14H,13H2
InChIKeyZCWXPBQNXADLSS-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.51
Rot. Bonds3

About 6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one

6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one (PubChem CID 14241243) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one.

Molecular Properties

Compound Name6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one
PubChem CID14241243
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one
SMILESO=c1c2cnncc2c(-c2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C20H15N3O/c24-20-18-12-22-21-11-17(18)19(16-9-5-2-6-10-16)14-23(20)13-15-7-3-1-4-8-15/h1-12,14H,13H2
InChIKeyZCWXPBQNXADLSS-UHFFFAOYSA-N
XLogP3.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 71469399
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CID 15418266
1-benzyl-5-phenylpyrimidin-2-one
CID 14318835
1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine
CID 76850860
1-benzyl-3-methoxy-5-phenylpyrazin-2-one
CID 86053729
5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one
CID 95919981
1-benzyl-3-phenyl-5-pyrrol-1-ylindole
CID 141114506
5-nitro-3-phenyl-1-[(4-phenylphenyl)methyl]indole
CID 159884874
5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one
CID 12016985
1-benzyl-3-(2,6-difluoro-4-pyridinyl)indole
CID 66552989
3-benzylpyrido[4,3-d]pyrimidin-4-one
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1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid
CID 2764352

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one?
The IUPAC name of 6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one (CID 14241243) is 6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one.
What is the SMILES notation for 6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one?
The canonical SMILES for 6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one is O=c1c2cnncc2c(-c2ccccc2)cn1Cc1ccccc1.
What is the InChIKey of 6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one?
The InChIKey is ZCWXPBQNXADLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-20-18-12-22-21-11-17(18)19(16-9-5-2-6-10-16)14-23(20)13-15-7-3-1-4-8-15/h1-12,14H,13H2.
What are the key properties of 6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one?
6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one has a molecular weight of 313.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one is sourced from PubChem (CID 14241243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).