1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one

C15H19N3O — CID 82419961

IUPAC1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one
SMILESCNCc1nn(-c2cccc(C)c2C)c(C)cc1=O
InChIInChI=1S/C15H19N3O/c1-10-6-5-7-14(12(10)3)18-11(2)8-15(19)13(17-18)9-16-4/h5-8,16H,9H2,1-4H3
InChIKeyPCLRCTIIKFZBMS-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.88
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one

1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one (PubChem CID 82419961) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one
PubChem CID82419961
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one
SMILESCNCc1nn(-c2cccc(C)c2C)c(C)cc1=O
InChIInChI=1S/C15H19N3O/c1-10-6-5-7-14(12(10)3)18-11(2)8-15(19)13(17-18)9-16-4/h5-8,16H,9H2,1-4H3
InChIKeyPCLRCTIIKFZBMS-UHFFFAOYSA-N
XLogP1.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one (CID 82419961) is 1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one is CNCc1nn(-c2cccc(C)c2C)c(C)cc1=O.
What is the InChIKey of 1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one?
The InChIKey is PCLRCTIIKFZBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-6-5-7-14(12(10)3)18-11(2)8-15(19)13(17-18)9-16-4/h5-8,16H,9H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one?
1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one has a molecular weight of 257.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one is sourced from PubChem (CID 82419961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).