2-(2-methylphenyl)-1-pyridazin-4-ylethanone

C13H12N2O — CID 105079516

IUPAC2-(2-methylphenyl)-1-pyridazin-4-ylethanone
SMILESCc1ccccc1CC(=O)c1ccnnc1
InChIInChI=1S/C13H12N2O/c1-10-4-2-3-5-11(10)8-13(16)12-6-7-14-15-9-12/h2-7,9H,8H2,1H3
InChIKeyCWVCOURHUDIHCX-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.21
Rot. Bonds3

About 2-(2-methylphenyl)-1-pyridazin-4-ylethanone

2-(2-methylphenyl)-1-pyridazin-4-ylethanone (PubChem CID 105079516) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-pyridazin-4-ylethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-pyridazin-4-ylethanone
PubChem CID105079516
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-(2-methylphenyl)-1-pyridazin-4-ylethanone
SMILESCc1ccccc1CC(=O)c1ccnnc1
InChIInChI=1S/C13H12N2O/c1-10-4-2-3-5-11(10)8-13(16)12-6-7-14-15-9-12/h2-7,9H,8H2,1H3
InChIKeyCWVCOURHUDIHCX-UHFFFAOYSA-N
XLogP2.21
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone
CID 105082938
N-[3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine
CID 174727656
1-(4-iodophenyl)-2-(2-methylphenyl)ethanone
CID 43160312
2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanone
CID 105079486
1,2-bis(2-methylphenyl)ethanone
CID 11345119
1-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)ethanone
CID 105079467
2-(2-methylphenyl)acetic acid
CID 67440217
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone
CID 116613024
2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone
CID 105129169
2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81148519
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone
CID 114685688
2-(2-methylphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 43337311

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-pyridazin-4-ylethanone?
The IUPAC name of 2-(2-methylphenyl)-1-pyridazin-4-ylethanone (CID 105079516) is 2-(2-methylphenyl)-1-pyridazin-4-ylethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-pyridazin-4-ylethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-pyridazin-4-ylethanone is Cc1ccccc1CC(=O)c1ccnnc1.
What is the InChIKey of 2-(2-methylphenyl)-1-pyridazin-4-ylethanone?
The InChIKey is CWVCOURHUDIHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-10-4-2-3-5-11(10)8-13(16)12-6-7-14-15-9-12/h2-7,9H,8H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-pyridazin-4-ylethanone?
2-(2-methylphenyl)-1-pyridazin-4-ylethanone has a molecular weight of 212.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-pyridazin-4-ylethanone is sourced from PubChem (CID 105079516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).