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

C14H24N4O — CID 55206498

IUPAC1-propan-2-yl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one
SMILESCCCN(c1nccn(C(C)C)c1=O)C1CCNC1
InChIInChI=1S/C14H24N4O/c1-4-8-18(12-5-6-15-10-12)13-14(19)17(11(2)3)9-7-16-13/h7,9,11-12,15H,4-6,8,10H2,1-3H3
InChIKeyCDSKWCSDQGNYHM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.40
Rot. Bonds5

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

1-propan-2-yl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one (PubChem CID 55206498) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-propan-2-yl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one
PubChem CID55206498
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-propan-2-yl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one
SMILESCCCN(c1nccn(C(C)C)c1=O)C1CCNC1
InChIInChI=1S/C14H24N4O/c1-4-8-18(12-5-6-15-10-12)13-14(19)17(11(2)3)9-7-16-13/h7,9,11-12,15H,4-6,8,10H2,1-3H3
InChIKeyCDSKWCSDQGNYHM-UHFFFAOYSA-N
XLogP1.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one?
The IUPAC name of 1-propan-2-yl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one (CID 55206498) is 1-propan-2-yl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-propan-2-yl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one is CCCN(c1nccn(C(C)C)c1=O)C1CCNC1.
What is the InChIKey of 1-propan-2-yl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one?
The InChIKey is CDSKWCSDQGNYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-8-18(12-5-6-15-10-12)13-14(19)17(11(2)3)9-7-16-13/h7,9,11-12,15H,4-6,8,10H2,1-3H3.
What are the key properties of 1-propan-2-yl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one?
1-propan-2-yl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[propyl(pyrrolidin-3-yl)amino]pyrazin-2-one is sourced from PubChem (CID 55206498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).