2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one

C15H19N3O2S — CID 114396212

IUPAC2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CC(=O)c2cc(C)sc2C)c(=O)c1
InChIInChI=1S/C15H19N3O2S/c1-5-17(4)12-7-15(20)18(16-8-12)9-14(19)13-6-10(2)21-11(13)3/h6-8H,5,9H2,1-4H3
InChIKeyHFZSINCAWKUVBR-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.26
Rot. Bonds5

About 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one

2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114396212) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114396212
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CC(=O)c2cc(C)sc2C)c(=O)c1
InChIInChI=1S/C15H19N3O2S/c1-5-17(4)12-7-15(20)18(16-8-12)9-14(19)13-6-10(2)21-11(13)3/h6-8H,5,9H2,1-4H3
InChIKeyHFZSINCAWKUVBR-UHFFFAOYSA-N
XLogP2.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-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-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-oxobutanoate
CID 114396186
4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-methylbut-2-enoic acid
CID 104920891
5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one
CID 114396227
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 62922672
5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
CID 114396211
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326
3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-6-methylpyrimidin-4-one
CID 62025793
2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanamide
CID 114394012
N-(3-amino-3-sulfanylidenepropyl)-2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylacetamide
CID 114395821
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
CID 114395814

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114396212) is 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(CC(=O)c2cc(C)sc2C)c(=O)c1.
What is the InChIKey of 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is HFZSINCAWKUVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-5-17(4)12-7-15(20)18(16-8-12)9-14(19)13-6-10(2)21-11(13)3/h6-8H,5,9H2,1-4H3.
What are the key properties of 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 305.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114396212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).