4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one

C13H14N2O — CID 144652032

IUPAC4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2ncc(C)c(C)c2=O)cc1
InChIInChI=1S/C13H14N2O/c1-9-4-6-12(7-5-9)15-13(16)11(3)10(2)8-14-15/h4-8H,1-3H3
InChIKeyDVBHNTLSGJQIBT-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.16
Rot. Bonds1

About 4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one

4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one (PubChem CID 144652032) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one
PubChem CID144652032
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2ncc(C)c(C)c2=O)cc1
InChIInChI=1S/C13H14N2O/c1-9-4-6-12(7-5-9)15-13(16)11(3)10(2)8-14-15/h4-8H,1-3H3
InChIKeyDVBHNTLSGJQIBT-UHFFFAOYSA-N
XLogP2.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one
CID 13187394
ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole
CID 91061199
4-bromo-5-ethoxy-2-(4-methylphenyl)pyridazin-3-one
CID 1487499
5-chloro-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one
CID 1479652
5-chloro-4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)pyridazin-3-one
CID 1480827
6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135444506
4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one
CID 126527319
5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 115023285
4-bromo-5-chloro-1-(4-methylphenyl)pyrazole
CID 115050545
2-tert-butyl-4,5-dimethylpyridazin-3-one
CID 58336945
4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 156513153
5-chloro-1-(4-chlorophenyl)-4-methylpyrazole
CID 20686663

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one (CID 144652032) is 4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-n2ncc(C)c(C)c2=O)cc1.
What is the InChIKey of 4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one?
The InChIKey is DVBHNTLSGJQIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-4-6-12(7-5-9)15-13(16)11(3)10(2)8-14-15/h4-8H,1-3H3.
What are the key properties of 4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one?
4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one has a molecular weight of 214.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 144652032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).