2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C15H19N5OS — CID 126923322

IUPAC2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1c1nc(C2CCC2)ns1
InChIInChI=1S/C15H19N5OS/c21-13-7-2-8-16-20(13)10-12-6-3-9-19(12)15-17-14(18-22-15)11-4-1-5-11/h2,7-8,11-12H,1,3-6,9-10H2
InChIKeyFCEQCZZUEBHBKO-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.03
Rot. Bonds4

About 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923322) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923322
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1c1nc(C2CCC2)ns1
InChIInChI=1S/C15H19N5OS/c21-13-7-2-8-16-20(13)10-12-6-3-9-19(12)15-17-14(18-22-15)11-4-1-5-11/h2,7-8,11-12H,1,3-6,9-10H2
InChIKeyFCEQCZZUEBHBKO-UHFFFAOYSA-N
XLogP2.03
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]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-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923322) is 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1cccnn1CC1CCCN1c1nc(C2CCC2)ns1.
What is the InChIKey of 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is FCEQCZZUEBHBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c21-13-7-2-8-16-20(13)10-12-6-3-9-19(12)15-17-14(18-22-15)11-4-1-5-11/h2,7-8,11-12H,1,3-6,9-10H2.
What are the key properties of 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 317.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).