1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one

C11H18N4O — CID 62929011

IUPAC1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one
SMILESCC(C)n1ccnc(NC2CCNC2)c1=O
InChIInChI=1S/C11H18N4O/c1-8(2)15-6-5-13-10(11(15)16)14-9-3-4-12-7-9/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyUBNAQSZUGFQIRJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.60
Rot. Bonds3

About 1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one

1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one (PubChem CID 62929011) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one
PubChem CID62929011
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one
SMILESCC(C)n1ccnc(NC2CCNC2)c1=O
InChIInChI=1S/C11H18N4O/c1-8(2)15-6-5-13-10(11(15)16)14-9-3-4-12-7-9/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyUBNAQSZUGFQIRJ-UHFFFAOYSA-N
XLogP0.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one?
The IUPAC name of 1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one (CID 62929011) is 1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one is CC(C)n1ccnc(NC2CCNC2)c1=O.
What is the InChIKey of 1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one?
The InChIKey is UBNAQSZUGFQIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(2)15-6-5-13-10(11(15)16)14-9-3-4-12-7-9/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one?
1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(pyrrolidin-3-ylamino)pyrazin-2-one is sourced from PubChem (CID 62929011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).