2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one

C14H17N3O — CID 82443800

IUPAC2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one
SMILESCNCc1cc(-c2ccc(C)cc2)nn(C)c1=O
InChIInChI=1S/C14H17N3O/c1-10-4-6-11(7-5-10)13-8-12(9-15-2)14(18)17(3)16-13/h4-8,15H,9H2,1-3H3
InChIKeyNQFQHBBTAFMSAT-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.48
Rot. Bonds3

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

2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 82443800) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one
PubChem CID82443800
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one
SMILESCNCc1cc(-c2ccc(C)cc2)nn(C)c1=O
InChIInChI=1S/C14H17N3O/c1-10-4-6-11(7-5-10)13-8-12(9-15-2)14(18)17(3)16-13/h4-8,15H,9H2,1-3H3
InChIKeyNQFQHBBTAFMSAT-UHFFFAOYSA-N
XLogP1.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one (CID 82443800) is 2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one is CNCc1cc(-c2ccc(C)cc2)nn(C)c1=O.
What is the InChIKey of 2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is NQFQHBBTAFMSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-6-11(7-5-10)13-8-12(9-15-2)14(18)17(3)16-13/h4-8,15H,9H2,1-3H3.
What are the key properties of 2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one?
2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 243.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 82443800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).