2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one

C11H12N4OS — CID 103217975

IUPAC2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1cncs1)CCCN2
InChIInChI=1S/C11H12N4OS/c16-11-4-10-9(2-1-3-13-10)14-15(11)6-8-5-12-7-17-8/h4-5,7,13H,1-3,6H2
InChIKeyCFMLKNPNYVMHFQ-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.11
Rot. Bonds2

About 2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one

2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one (PubChem CID 103217975) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one.

Molecular Properties

Compound Name2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
PubChem CID103217975
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1cncs1)CCCN2
InChIInChI=1S/C11H12N4OS/c16-11-4-10-9(2-1-3-13-10)14-15(11)6-8-5-12-7-17-8/h4-5,7,13H,1-3,6H2
InChIKeyCFMLKNPNYVMHFQ-UHFFFAOYSA-N
XLogP1.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The IUPAC name of 2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one (CID 103217975) is 2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one.
What is the SMILES notation for 2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The canonical SMILES for 2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one is O=c1cc2c(nn1Cc1cncs1)CCCN2.
What is the InChIKey of 2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The InChIKey is CFMLKNPNYVMHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c16-11-4-10-9(2-1-3-13-10)14-15(11)6-8-5-12-7-17-8/h4-5,7,13H,1-3,6H2.
What are the key properties of 2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one has a molecular weight of 248.31 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one is sourced from PubChem (CID 103217975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).