1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one

C15H24N4O — CID 62928188

IUPAC1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
SMILESCCCNCC1CCCN1c1nccn(C2CC2)c1=O
InChIInChI=1S/C15H24N4O/c1-2-7-16-11-13-4-3-9-18(13)14-15(20)19(10-8-17-14)12-5-6-12/h8,10,12-13,16H,2-7,9,11H2,1H3
InChIKeyKXRBNEKDYRRCJR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.55
Rot. Bonds6

About 1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one

1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one (PubChem CID 62928188) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
PubChem CID62928188
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
SMILESCCCNCC1CCCN1c1nccn(C2CC2)c1=O
InChIInChI=1S/C15H24N4O/c1-2-7-16-11-13-4-3-9-18(13)14-15(20)19(10-8-17-14)12-5-6-12/h8,10,12-13,16H,2-7,9,11H2,1H3
InChIKeyKXRBNEKDYRRCJR-UHFFFAOYSA-N
XLogP1.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.55
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-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one (CID 62928188) is 1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one is CCCNCC1CCCN1c1nccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one?
The InChIKey is KXRBNEKDYRRCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-7-16-11-13-4-3-9-18(13)14-15(20)19(10-8-17-14)12-5-6-12/h8,10,12-13,16H,2-7,9,11H2,1H3.
What are the key properties of 1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one?
1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 62928188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).