3-(3,4-dimethylphenyl)-3H-pyridazin-6-one

C12H12N2O — CID 71652064

IUPAC3-(3,4-dimethylphenyl)-3H-pyridazin-6-one
SMILESCc1ccc(C2C=CC(=O)N=N2)cc1C
InChIInChI=1S/C12H12N2O/c1-8-3-4-10(7-9(8)2)11-5-6-12(15)14-13-11/h3-7,11H,1-2H3
InChIKeyKBEQODJNTQRYSW-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.89
Rot. Bonds1

About 3-(3,4-dimethylphenyl)-3H-pyridazin-6-one

3-(3,4-dimethylphenyl)-3H-pyridazin-6-one (PubChem CID 71652064) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-3H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-3H-pyridazin-6-one
PubChem CID71652064
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-(3,4-dimethylphenyl)-3H-pyridazin-6-one
SMILESCc1ccc(C2C=CC(=O)N=N2)cc1C
InChIInChI=1S/C12H12N2O/c1-8-3-4-10(7-9(8)2)11-5-6-12(15)14-13-11/h3-7,11H,1-2H3
InChIKeyKBEQODJNTQRYSW-UHFFFAOYSA-N
XLogP2.89
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one
CID 66106985
4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine
CID 102053725
2,8,14,20-tetrakis(3,4-dimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
CID 121275263
(2S)-2-(3,4-dimethylphenyl)oxirane
CID 40580634
3-(3,4-dimethylphenyl)azetidine
CID 82280235
2-(3,4-dimethylphenyl)-1,3-dithiane 1,1,3,3-tetraoxide
CID 22758392
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine
CID 143173718
3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine
CID 130488486
(4S)-4-(3,4-dimethylphenyl)-3-methyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 136818127
(4R)-4-(3,4-dimethylphenyl)-3-methyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 136818126
(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol
CID 95002894

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-3H-pyridazin-6-one?
The IUPAC name of 3-(3,4-dimethylphenyl)-3H-pyridazin-6-one (CID 71652064) is 3-(3,4-dimethylphenyl)-3H-pyridazin-6-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-3H-pyridazin-6-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)-3H-pyridazin-6-one is Cc1ccc(C2C=CC(=O)N=N2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-3H-pyridazin-6-one?
The InChIKey is KBEQODJNTQRYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-3-4-10(7-9(8)2)11-5-6-12(15)14-13-11/h3-7,11H,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)-3H-pyridazin-6-one?
3-(3,4-dimethylphenyl)-3H-pyridazin-6-one has a molecular weight of 200.24 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-3H-pyridazin-6-one is sourced from PubChem (CID 71652064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).