6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one

C13H14N2O — CID 2800008

IUPAC6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one
SMILESCc1ccc(Cn2nc(C)ccc2=O)cc1
InChIInChI=1S/C13H14N2O/c1-10-3-6-12(7-4-10)9-15-13(16)8-5-11(2)14-15/h3-8H,9H2,1-2H3
InChIKeyCQCUMPFQORSELD-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.91
Rot. Bonds2

About 6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one

6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one (PubChem CID 2800008) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one
PubChem CID2800008
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one
SMILESCc1ccc(Cn2nc(C)ccc2=O)cc1
InChIInChI=1S/C13H14N2O/c1-10-3-6-12(7-4-10)9-15-13(16)8-5-11(2)14-15/h3-8H,9H2,1-2H3
InChIKeyCQCUMPFQORSELD-UHFFFAOYSA-N
XLogP1.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one (CID 2800008) is 6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one is Cc1ccc(Cn2nc(C)ccc2=O)cc1.
What is the InChIKey of 6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one?
The InChIKey is CQCUMPFQORSELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-3-6-12(7-4-10)9-15-13(16)8-5-11(2)14-15/h3-8H,9H2,1-2H3.
What are the key properties of 6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one?
6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one has a molecular weight of 214.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 2800008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).