2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one

C25H22N2O3 — CID 18369323

IUPAC2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(Cc3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H22N2O3/c1-29-21-12-8-19(9-13-21)23-16-24(28)27(17-18-6-4-3-5-7-18)26-25(23)20-10-14-22(30-2)15-11-20/h3-16H,17H2,1-2H3
InChIKeyRVACAWSOYJCCGW-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.64
Rot. Bonds6

About 2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one

2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one (PubChem CID 18369323) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
PubChem CID18369323
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(Cc3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H22N2O3/c1-29-21-12-8-19(9-13-21)23-16-24(28)27(17-18-6-4-3-5-7-18)26-25(23)20-10-14-22(30-2)15-11-20/h3-16H,17H2,1-2H3
InChIKeyRVACAWSOYJCCGW-UHFFFAOYSA-N
XLogP4.64
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one (CID 18369323) is 2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2cc(=O)n(Cc3ccccc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is RVACAWSOYJCCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-29-21-12-8-19(9-13-21)23-16-24(28)27(17-18-6-4-3-5-7-18)26-25(23)20-10-14-22(30-2)15-11-20/h3-16H,17H2,1-2H3.
What are the key properties of 2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 398.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 18369323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).