6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one

C11H17N3O — CID 139516411

IUPAC6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CCCC2)c(=O)[nH]1
InChIInChI=1S/C11H17N3O/c1-8(2)9-7-12-10(11(15)13-9)14-5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyVRACUFQVAOWCOX-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.49
Rot. Bonds2

About 6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one

6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one (PubChem CID 139516411) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one
PubChem CID139516411
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CCCC2)c(=O)[nH]1
InChIInChI=1S/C11H17N3O/c1-8(2)9-7-12-10(11(15)13-9)14-5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyVRACUFQVAOWCOX-UHFFFAOYSA-N
XLogP1.49
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-propan-2-yl-3-pyrrolidin-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 6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one?
The IUPAC name of 6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one (CID 139516411) is 6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one.
What is the SMILES notation for 6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one?
The canonical SMILES for 6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one is CC(C)c1cnc(N2CCCC2)c(=O)[nH]1.
What is the InChIKey of 6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one?
The InChIKey is VRACUFQVAOWCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)9-7-12-10(11(15)13-9)14-5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one?
6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-pyrrolidin-1-yl-1H-pyrazin-2-one is sourced from PubChem (CID 139516411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).