3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one

C15H15N3O2 — CID 123935990

IUPAC3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one
SMILESC/N=C/CC(=O)c1nn(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C15H15N3O2/c1-11-3-5-12(6-4-11)18-10-8-14(20)15(17-18)13(19)7-9-16-2/h3-6,8-10H,7H2,1-2H3/b16-9+
InChIKeyMNLZIVUOPCQRGY-CXUHLZMHSA-N
MW269.30 g/mol
LogP1.81
Rot. Bonds4

About 3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one

3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one (PubChem CID 123935990) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one
PubChem CID123935990
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one
SMILESC/N=C/CC(=O)c1nn(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C15H15N3O2/c1-11-3-5-12(6-4-11)18-10-8-14(20)15(17-18)13(19)7-9-16-2/h3-6,8-10H,7H2,1-2H3/b16-9+
InChIKeyMNLZIVUOPCQRGY-CXUHLZMHSA-N
XLogP1.81
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyclohexylphenyl)-3-(3-methyliminopropanoyl)pyridazin-4-one
CID 123338777
1-[4-(difluoromethoxy)phenyl]-3-(3-methyliminopropanoyl)pyridazin-4-one
CID 123654940
3-methyl-1-(4-methylphenyl)pyridazin-4-one
CID 66489916
1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7709813
ethyl 1-(3,5-dimethylphenyl)-4-oxopyridazine-3-carboxylate
CID 63952405
1-(4-methylphenyl)pyrazole-3-carbaldehyde
CID 13432477
methyl 1-(4-iodophenyl)-4-oxopyridazine-3-carboxylate
CID 63953640
methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate
CID 2764302
methyl 1-(4-methylphenyl)pyrazole-3-carboxylate
CID 14129279
ethane;3-methyl-1-(4-methylphenyl)pyrazole
CID 123320873
1-(3-chloro-4-methylphenyl)-4-oxopyridazine-3-carboxylic acid
CID 18802040
2-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 175085264

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one?
The IUPAC name of 3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one (CID 123935990) is 3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one.
What is the SMILES notation for 3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one?
The canonical SMILES for 3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one is C/N=C/CC(=O)c1nn(-c2ccc(C)cc2)ccc1=O.
What is the InChIKey of 3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one?
The InChIKey is MNLZIVUOPCQRGY-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-3-5-12(6-4-11)18-10-8-14(20)15(17-18)13(19)7-9-16-2/h3-6,8-10H,7H2,1-2H3/b16-9+.
What are the key properties of 3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one?
3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one has a molecular weight of 269.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyliminopropanoyl)-1-(4-methylphenyl)pyridazin-4-one is sourced from PubChem (CID 123935990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).