1-propan-2-yl-3-(propylamino)pyrazin-2-one

C10H17N3O — CID 53015093

IUPAC1-propan-2-yl-3-(propylamino)pyrazin-2-one
SMILESCCCNc1nccn(C(C)C)c1=O
InChIInChI=1S/C10H17N3O/c1-4-5-11-9-10(14)13(8(2)3)7-6-12-9/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyAQXJJODYKKSWSF-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.65
Rot. Bonds4

About 1-propan-2-yl-3-(propylamino)pyrazin-2-one

1-propan-2-yl-3-(propylamino)pyrazin-2-one (PubChem CID 53015093) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-propan-2-yl-3-(propylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(propylamino)pyrazin-2-one
PubChem CID53015093
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-propan-2-yl-3-(propylamino)pyrazin-2-one
SMILESCCCNc1nccn(C(C)C)c1=O
InChIInChI=1S/C10H17N3O/c1-4-5-11-9-10(14)13(8(2)3)7-6-12-9/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyAQXJJODYKKSWSF-UHFFFAOYSA-N
XLogP1.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-propan-2-yl-3-(propylamino)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-propan-2-yl-3-(propylamino)pyrazin-2-one?
The IUPAC name of 1-propan-2-yl-3-(propylamino)pyrazin-2-one (CID 53015093) is 1-propan-2-yl-3-(propylamino)pyrazin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(propylamino)pyrazin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(propylamino)pyrazin-2-one is CCCNc1nccn(C(C)C)c1=O.
What is the InChIKey of 1-propan-2-yl-3-(propylamino)pyrazin-2-one?
The InChIKey is AQXJJODYKKSWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-5-11-9-10(14)13(8(2)3)7-6-12-9/h6-8H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 1-propan-2-yl-3-(propylamino)pyrazin-2-one?
1-propan-2-yl-3-(propylamino)pyrazin-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(propylamino)pyrazin-2-one is sourced from PubChem (CID 53015093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).