1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one

C14H24N4O — CID 55203630

IUPAC1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one
SMILESCCCN(c1nccn(CCC)c1=O)C1CCNC1
InChIInChI=1S/C14H24N4O/c1-3-8-17-10-7-16-13(14(17)19)18(9-4-2)12-5-6-15-11-12/h7,10,12,15H,3-6,8-9,11H2,1-2H3
InChIKeyJBNOKJFZGGBPHD-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.23
Rot. Bonds6

About 1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one

1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one (PubChem CID 55203630) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one
PubChem CID55203630
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one
SMILESCCCN(c1nccn(CCC)c1=O)C1CCNC1
InChIInChI=1S/C14H24N4O/c1-3-8-17-10-7-16-13(14(17)19)18(9-4-2)12-5-6-15-11-12/h7,10,12,15H,3-6,8-9,11H2,1-2H3
InChIKeyJBNOKJFZGGBPHD-UHFFFAOYSA-N
XLogP1.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one?
The IUPAC name of 1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one (CID 55203630) is 1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one is CCCN(c1nccn(CCC)c1=O)C1CCNC1.
What is the InChIKey of 1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one?
The InChIKey is JBNOKJFZGGBPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-8-17-10-7-16-13(14(17)19)18(9-4-2)12-5-6-15-11-12/h7,10,12,15H,3-6,8-9,11H2,1-2H3.
What are the key properties of 1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one?
1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one is sourced from PubChem (CID 55203630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).