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

C13H19N3O2 — CID 106361991

IUPAC1-cyclopropyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one
SMILESO=c1c(NC2CCCC2CO)nccn1C1CC1
InChIInChI=1S/C13H19N3O2/c17-8-9-2-1-3-11(9)15-12-13(18)16(7-6-14-12)10-4-5-10/h6-7,9-11,17H,1-5,8H2,(H,14,15)
InChIKeyBWNBPOJKWZKMHB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.15
Rot. Bonds4

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

1-cyclopropyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one (PubChem CID 106361991) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one
PubChem CID106361991
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-cyclopropyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one
SMILESO=c1c(NC2CCCC2CO)nccn1C1CC1
InChIInChI=1S/C13H19N3O2/c17-8-9-2-1-3-11(9)15-12-13(18)16(7-6-14-12)10-4-5-10/h6-7,9-11,17H,1-5,8H2,(H,14,15)
InChIKeyBWNBPOJKWZKMHB-UHFFFAOYSA-N
XLogP1.15
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one (CID 106361991) is 1-cyclopropyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one is O=c1c(NC2CCCC2CO)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one?
The InChIKey is BWNBPOJKWZKMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-8-9-2-1-3-11(9)15-12-13(18)16(7-6-14-12)10-4-5-10/h6-7,9-11,17H,1-5,8H2,(H,14,15).
What are the key properties of 1-cyclopropyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one?
1-cyclopropyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazin-2-one is sourced from PubChem (CID 106361991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).