2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one

C13H12N2O — CID 24750055

IUPAC2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one
SMILESCn1ncc(/C=C/c2ccccc2)cc1=O
InChIInChI=1S/C13H12N2O/c1-15-13(16)9-12(10-14-15)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKeyGRBLCAZBIJEMCP-BQYQJAHWSA-N
MW212.25 g/mol
LogP1.95
Rot. Bonds2

About 2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one

2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one (PubChem CID 24750055) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one
PubChem CID24750055
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one
SMILESCn1ncc(/C=C/c2ccccc2)cc1=O
InChIInChI=1S/C13H12N2O/c1-15-13(16)9-12(10-14-15)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKeyGRBLCAZBIJEMCP-BQYQJAHWSA-N
XLogP1.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one (CID 24750055) is 2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one is Cn1ncc(/C=C/c2ccccc2)cc1=O.
What is the InChIKey of 2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one?
The InChIKey is GRBLCAZBIJEMCP-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H12N2O/c1-15-13(16)9-12(10-14-15)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+.
What are the key properties of 2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one?
2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one has a molecular weight of 212.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one is sourced from PubChem (CID 24750055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).