1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one

C14H24N4O — CID 55154882

IUPAC1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one
SMILESCCCn1ccnc(NC(C)CN2CCCC2)c1=O
InChIInChI=1S/C14H24N4O/c1-3-7-18-10-6-15-13(14(18)19)16-12(2)11-17-8-4-5-9-17/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,15,16)
InChIKeyDHXJINJPSWMHSD-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.55
Rot. Bonds6

About 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one

1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one (PubChem CID 55154882) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one
PubChem CID55154882
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one
SMILESCCCn1ccnc(NC(C)CN2CCCC2)c1=O
InChIInChI=1S/C14H24N4O/c1-3-7-18-10-6-15-13(14(18)19)16-12(2)11-17-8-4-5-9-17/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,15,16)
InChIKeyDHXJINJPSWMHSD-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one?
The IUPAC name of 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one (CID 55154882) is 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one?
The canonical SMILES for 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one is CCCn1ccnc(NC(C)CN2CCCC2)c1=O.
What is the InChIKey of 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one?
The InChIKey is DHXJINJPSWMHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-7-18-10-6-15-13(14(18)19)16-12(2)11-17-8-4-5-9-17/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,15,16).
What are the key properties of 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one?
1-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one has a molecular weight of 264.37 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-propyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one is sourced from PubChem (CID 55154882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).