1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one

C12H16F3N3O — CID 115520614

IUPAC1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
SMILESO=c1c(NCCCCC(F)(F)F)nccn1C1CC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)5-1-2-6-16-10-11(19)18(8-7-17-10)9-3-4-9/h7-9H,1-6H2,(H,16,17)
InChIKeyBCRXLTYXQPRUNP-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.72
Rot. Bonds6

About 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one

1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one (PubChem CID 115520614) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
PubChem CID115520614
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
SMILESO=c1c(NCCCCC(F)(F)F)nccn1C1CC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)5-1-2-6-16-10-11(19)18(8-7-17-10)9-3-4-9/h7-9H,1-6H2,(H,16,17)
InChIKeyBCRXLTYXQPRUNP-UHFFFAOYSA-N
XLogP2.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one (CID 115520614) is 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one is O=c1c(NCCCCC(F)(F)F)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one?
The InChIKey is BCRXLTYXQPRUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)5-1-2-6-16-10-11(19)18(8-7-17-10)9-3-4-9/h7-9H,1-6H2,(H,16,17).
What are the key properties of 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one?
1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one has a molecular weight of 275.27 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one is sourced from PubChem (CID 115520614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).