1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one

C12H19N3O2 — CID 62927249

IUPAC1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one
SMILESCCn1ccnc(NC2(CO)CCCC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-2-15-8-7-13-10(11(15)17)14-12(9-16)5-3-4-6-12/h7-8,16H,2-6,9H2,1H3,(H,13,14)
InChIKeyLKQUOVBTCZTTIJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.98
Rot. Bonds4

About 1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one

1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one (PubChem CID 62927249) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one
PubChem CID62927249
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one
SMILESCCn1ccnc(NC2(CO)CCCC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-2-15-8-7-13-10(11(15)17)14-12(9-16)5-3-4-6-12/h7-8,16H,2-6,9H2,1H3,(H,13,14)
InChIKeyLKQUOVBTCZTTIJ-UHFFFAOYSA-N
XLogP0.98
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one (CID 62927249) is 1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one is CCn1ccnc(NC2(CO)CCCC2)c1=O.
What is the InChIKey of 1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one?
The InChIKey is LKQUOVBTCZTTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-15-8-7-13-10(11(15)17)14-12(9-16)5-3-4-6-12/h7-8,16H,2-6,9H2,1H3,(H,13,14).
What are the key properties of 1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one?
1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one is sourced from PubChem (CID 62927249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).