2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one

C13H16N2O2S — CID 82445328

IUPAC2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
SMILESCCn1nc(-c2cccs2)cc(C(C)(C)O)c1=O
InChIInChI=1S/C13H16N2O2S/c1-4-15-12(16)9(13(2,3)17)8-10(14-15)11-6-5-7-18-11/h5-8,17H,4H2,1-3H3
InChIKeyPNNMFWKFCLRKRI-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.22
Rot. Bonds3

About 2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one

2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one (PubChem CID 82445328) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
PubChem CID82445328
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
SMILESCCn1nc(-c2cccs2)cc(C(C)(C)O)c1=O
InChIInChI=1S/C13H16N2O2S/c1-4-15-12(16)9(13(2,3)17)8-10(14-15)11-6-5-7-18-11/h5-8,17H,4H2,1-3H3
InChIKeyPNNMFWKFCLRKRI-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one (CID 82445328) is 2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one is CCn1nc(-c2cccs2)cc(C(C)(C)O)c1=O.
What is the InChIKey of 2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is PNNMFWKFCLRKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-4-15-12(16)9(13(2,3)17)8-10(14-15)11-6-5-7-18-11/h5-8,17H,4H2,1-3H3.
What are the key properties of 2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 264.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 82445328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).