(3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone

C16H18N2O2 — CID 105128622

IUPAC(3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1cc(C)nnc1C
InChIInChI=1S/C16H18N2O2/c1-4-9-20-15-8-6-5-7-13(15)16(19)14-10-11(2)17-18-12(14)3/h5-8,10H,4,9H2,1-3H3
InChIKeySEGXSXLEWVPMMG-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.11
Rot. Bonds5

About (3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone

(3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone (PubChem CID 105128622) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone
PubChem CID105128622
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1cc(C)nnc1C
InChIInChI=1S/C16H18N2O2/c1-4-9-20-15-8-6-5-7-13(15)16(19)14-10-11(2)17-18-12(14)3/h5-8,10H,4,9H2,1-3H3
InChIKeySEGXSXLEWVPMMG-UHFFFAOYSA-N
XLogP3.11
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone 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

(2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone
CID 105128629
(2-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 106790144
(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
CID 104659409
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(6-methoxypyridazin-3-yl)-(2-propoxyphenyl)methanone
CID 103373209
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
propyl 3,6-dimethylpyridazine-4-carboxylate
CID 104671102
(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800817
(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800762
(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone
CID 105120129
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone (CID 105128622) is (3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)c1cc(C)nnc1C.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone?
The InChIKey is SEGXSXLEWVPMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-9-20-15-8-6-5-7-13(15)16(19)14-10-11(2)17-18-12(14)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone?
(3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone has a molecular weight of 270.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone is sourced from PubChem (CID 105128622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).