1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one

C13H15N3OS — CID 55154886

IUPAC1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one
SMILESCc1ccc(CNc2nccn(C3CC3)c2=O)s1
InChIInChI=1S/C13H15N3OS/c1-9-2-5-11(18-9)8-15-12-13(17)16(7-6-14-12)10-3-4-10/h2,5-7,10H,3-4,8H2,1H3,(H,14,15)
InChIKeyVTWMNFNYHABTMD-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.56
Rot. Bonds4

About 1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one

1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one (PubChem CID 55154886) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one
PubChem CID55154886
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one
SMILESCc1ccc(CNc2nccn(C3CC3)c2=O)s1
InChIInChI=1S/C13H15N3OS/c1-9-2-5-11(18-9)8-15-12-13(17)16(7-6-14-12)10-3-4-10/h2,5-7,10H,3-4,8H2,1H3,(H,14,15)
InChIKeyVTWMNFNYHABTMD-UHFFFAOYSA-N
XLogP2.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]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-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one (CID 55154886) is 1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one is Cc1ccc(CNc2nccn(C3CC3)c2=O)s1.
What is the InChIKey of 1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one?
The InChIKey is VTWMNFNYHABTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-2-5-11(18-9)8-15-12-13(17)16(7-6-14-12)10-3-4-10/h2,5-7,10H,3-4,8H2,1H3,(H,14,15).
What are the key properties of 1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one?
1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one has a molecular weight of 261.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one is sourced from PubChem (CID 55154886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).