6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C13H12N4O2S — CID 166632757

IUPAC6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCOc1cccc(Sc2ccc3n[nH]c(=O)n3n2)c1
InChIInChI=1S/C13H12N4O2S/c1-2-19-9-4-3-5-10(8-9)20-12-7-6-11-14-15-13(18)17(11)16-12/h3-8H,2H2,1H3,(H,15,18)
InChIKeyCXJANTOMLUUBBK-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.97
Rot. Bonds4

About 6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 166632757) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID166632757
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCOc1cccc(Sc2ccc3n[nH]c(=O)n3n2)c1
InChIInChI=1S/C13H12N4O2S/c1-2-19-9-4-3-5-10(8-9)20-12-7-6-11-14-15-13(18)17(11)16-12/h3-8H,2H2,1H3,(H,15,18)
InChIKeyCXJANTOMLUUBBK-UHFFFAOYSA-N
XLogP1.97
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]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

6-(3-methoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 166632548
2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine
CID 43262702
4-[6-(3-ethoxyphenoxy)-3-pyridinyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 72704328
7-(4-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284101
N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 52508691
6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 102902822
5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one
CID 141240576
4-(3-ethoxyphenyl)-1H-pyridazin-6-one
CID 106519861
6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281662
6-(4-amino-3-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281673
6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281503
6-ethoxy-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 101076460

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 166632757) is 6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCOc1cccc(Sc2ccc3n[nH]c(=O)n3n2)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is CXJANTOMLUUBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-2-19-9-4-3-5-10(8-9)20-12-7-6-11-14-15-13(18)17(11)16-12/h3-8H,2H2,1H3,(H,15,18).
What are the key properties of 6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 288.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 166632757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).