1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one

C16H19N3O — CID 115917119

IUPAC1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one
SMILESCC(CNc1nccn(C2CC2)c1=O)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-12(13-5-3-2-4-6-13)11-18-15-16(20)19(10-9-17-15)14-7-8-14/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,17,18)
InChIKeyVLJHOBXVWQZSJQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.79
Rot. Bonds5

About 1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one

1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one (PubChem CID 115917119) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one
PubChem CID115917119
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one
SMILESCC(CNc1nccn(C2CC2)c1=O)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-12(13-5-3-2-4-6-13)11-18-15-16(20)19(10-9-17-15)14-7-8-14/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,17,18)
InChIKeyVLJHOBXVWQZSJQ-UHFFFAOYSA-N
XLogP2.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one (CID 115917119) is 1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one is CC(CNc1nccn(C2CC2)c1=O)c1ccccc1.
What is the InChIKey of 1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one?
The InChIKey is VLJHOBXVWQZSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(13-5-3-2-4-6-13)11-18-15-16(20)19(10-9-17-15)14-7-8-14/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,17,18).
What are the key properties of 1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one?
1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one has a molecular weight of 269.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one is sourced from PubChem (CID 115917119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).