1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one

C16H18N2O — CID 105080164

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one
SMILESCCc1nnc(C)cc1C(=O)CCc1ccccc1
InChIInChI=1S/C16H18N2O/c1-3-15-14(11-12(2)17-18-15)16(19)10-9-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3
InChIKeySFJYTHIDOIODTQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.16
Rot. Bonds5

About 1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one

1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one (PubChem CID 105080164) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one
PubChem CID105080164
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one
SMILESCCc1nnc(C)cc1C(=O)CCc1ccccc1
InChIInChI=1S/C16H18N2O/c1-3-15-14(11-12(2)17-18-15)16(19)10-9-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3
InChIKeySFJYTHIDOIODTQ-UHFFFAOYSA-N
XLogP3.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105078240
2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105079147
2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105085054
1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one
CID 43161377
3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide
CID 104625709
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376734
1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one
CID 24725579
(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone
CID 105120129
N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623868
N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
CID 104669113
1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-3-phenylpropan-1-one
CID 158965496
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one (CID 105080164) is 1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one is CCc1nnc(C)cc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one?
The InChIKey is SFJYTHIDOIODTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-15-14(11-12(2)17-18-15)16(19)10-9-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one?
1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 105080164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).