4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one

C9H8N2O2S — CID 142690981

IUPAC4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one
SMILESCc1ccc(-c2n[nH]c(=O)cc2O)s1
InChIInChI=1S/C9H8N2O2S/c1-5-2-3-7(14-5)9-6(12)4-8(13)10-11-9/h2-4H,1H3,(H2,10,12,13)
InChIKeyFUJCVZLBGPTJCB-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.51
Rot. Bonds1

About 4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one

4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one (PubChem CID 142690981) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one
PubChem CID142690981
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one
SMILESCc1ccc(-c2n[nH]c(=O)cc2O)s1
InChIInChI=1S/C9H8N2O2S/c1-5-2-3-7(14-5)9-6(12)4-8(13)10-11-9/h2-4H,1H3,(H2,10,12,13)
InChIKeyFUJCVZLBGPTJCB-UHFFFAOYSA-N
XLogP1.51
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-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 4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one (CID 142690981) is 4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one is Cc1ccc(-c2n[nH]c(=O)cc2O)s1.
What is the InChIKey of 4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one?
The InChIKey is FUJCVZLBGPTJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-5-2-3-7(14-5)9-6(12)4-8(13)10-11-9/h2-4H,1H3,(H2,10,12,13).
What are the key properties of 4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one?
4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one has a molecular weight of 208.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 142690981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).