3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one

C8H9N3OS — CID 130232839

IUPAC3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one
SMILESCC(C)c1cc2[nH]c(=O)sc2nn1
InChIInChI=1S/C8H9N3OS/c1-4(2)5-3-6-7(11-10-5)13-8(12)9-6/h3-4H,1-2H3,(H,9,12)
InChIKeyMGJBMTMSNMGPNN-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.50
Rot. Bonds1

About 3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one

3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one (PubChem CID 130232839) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one.

Molecular Properties

Compound Name3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one
PubChem CID130232839
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one
SMILESCC(C)c1cc2[nH]c(=O)sc2nn1
InChIInChI=1S/C8H9N3OS/c1-4(2)5-3-6-7(11-10-5)13-8(12)9-6/h3-4H,1-2H3,(H,9,12)
InChIKeyMGJBMTMSNMGPNN-UHFFFAOYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]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 3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one?
The IUPAC name of 3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one (CID 130232839) is 3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one.
What is the SMILES notation for 3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one?
The canonical SMILES for 3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one is CC(C)c1cc2[nH]c(=O)sc2nn1.
What is the InChIKey of 3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one?
The InChIKey is MGJBMTMSNMGPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-4(2)5-3-6-7(11-10-5)13-8(12)9-6/h3-4H,1-2H3,(H,9,12).
What are the key properties of 3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one?
3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one has a molecular weight of 195.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5H-[1,3]thiazolo[5,4-c]pyridazin-6-one is sourced from PubChem (CID 130232839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).