3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one

C8H12N4O — CID 114570919

IUPAC3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one
SMILESNC1CCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C8H12N4O/c9-6-1-4-12(5-6)7-8(13)11-3-2-10-7/h2-3,6H,1,4-5,9H2,(H,11,13)
InChIKeyVMJCDHRUHCFCCP-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.69
Rot. Bonds1

About 3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one

3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one (PubChem CID 114570919) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one
PubChem CID114570919
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one
SMILESNC1CCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C8H12N4O/c9-6-1-4-12(5-6)7-8(13)11-3-2-10-7/h2-3,6H,1,4-5,9H2,(H,11,13)
InChIKeyVMJCDHRUHCFCCP-UHFFFAOYSA-N
XLogP-0.69
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-aminopyrrolidin-1-yl)-1H-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 3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one (CID 114570919) is 3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one is NC1CCN(c2ncc[nH]c2=O)C1.
What is the InChIKey of 3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one?
The InChIKey is VMJCDHRUHCFCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-6-1-4-12(5-6)7-8(13)11-3-2-10-7/h2-3,6H,1,4-5,9H2,(H,11,13).
What are the key properties of 3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one?
3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrrolidin-1-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 114570919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).