3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one

C13H21N3O2 — CID 55155845

IUPAC3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NC2(CO)CCCC2)c1=O
InChIInChI=1S/C13H21N3O2/c1-10(2)16-8-7-14-11(12(16)18)15-13(9-17)5-3-4-6-13/h7-8,10,17H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyQCCGOLFWHTVGHH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.54
Rot. Bonds4

About 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one

3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 55155845) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one
PubChem CID55155845
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NC2(CO)CCCC2)c1=O
InChIInChI=1S/C13H21N3O2/c1-10(2)16-8-7-14-11(12(16)18)15-13(9-17)5-3-4-6-13/h7-8,10,17H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyQCCGOLFWHTVGHH-UHFFFAOYSA-N
XLogP1.54
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-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-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one (CID 55155845) is 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(NC2(CO)CCCC2)c1=O.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is QCCGOLFWHTVGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)16-8-7-14-11(12(16)18)15-13(9-17)5-3-4-6-13/h7-8,10,17H,3-6,9H2,1-2H3,(H,14,15).
What are the key properties of 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one?
3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 55155845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).