1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one

C11H12N4OS — CID 63831020

IUPAC1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
SMILESO=c1c(NCc2cscn2)nccn1C1CC1
InChIInChI=1S/C11H12N4OS/c16-11-10(13-5-8-6-17-7-14-8)12-3-4-15(11)9-1-2-9/h3-4,6-7,9H,1-2,5H2,(H,12,13)
InChIKeyLEAOOYWTEXOIMY-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.65
Rot. Bonds4

About 1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one

1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one (PubChem CID 63831020) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
PubChem CID63831020
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
SMILESO=c1c(NCc2cscn2)nccn1C1CC1
InChIInChI=1S/C11H12N4OS/c16-11-10(13-5-8-6-17-7-14-8)12-3-4-15(11)9-1-2-9/h3-4,6-7,9H,1-2,5H2,(H,12,13)
InChIKeyLEAOOYWTEXOIMY-UHFFFAOYSA-N
XLogP1.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-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 1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one (CID 63831020) is 1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one is O=c1c(NCc2cscn2)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
The InChIKey is LEAOOYWTEXOIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c16-11-10(13-5-8-6-17-7-14-8)12-3-4-15(11)9-1-2-9/h3-4,6-7,9H,1-2,5H2,(H,12,13).
What are the key properties of 1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one?
1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one has a molecular weight of 248.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one is sourced from PubChem (CID 63831020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).