1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one

C14H22N4O — CID 55140166

IUPAC1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one
SMILESO=c1c(NCCCN2CCCC2)nccn1C1CC1
InChIInChI=1S/C14H22N4O/c19-14-13(16-7-11-18(14)12-4-5-12)15-6-3-10-17-8-1-2-9-17/h7,11-12H,1-6,8-10H2,(H,15,16)
InChIKeyOQVWCIHEZCJSAZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.48
Rot. Bonds6

About 1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one

1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one (PubChem CID 55140166) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one
PubChem CID55140166
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one
SMILESO=c1c(NCCCN2CCCC2)nccn1C1CC1
InChIInChI=1S/C14H22N4O/c19-14-13(16-7-11-18(14)12-4-5-12)15-6-3-10-17-8-1-2-9-17/h7,11-12H,1-6,8-10H2,(H,15,16)
InChIKeyOQVWCIHEZCJSAZ-UHFFFAOYSA-N
XLogP1.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one (CID 55140166) is 1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one is O=c1c(NCCCN2CCCC2)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one?
The InChIKey is OQVWCIHEZCJSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14-13(16-7-11-18(14)12-4-5-12)15-6-3-10-17-8-1-2-9-17/h7,11-12H,1-6,8-10H2,(H,15,16).
What are the key properties of 1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one?
1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one is sourced from PubChem (CID 55140166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).