1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one

C10H12F3N3O — CID 63226731

IUPAC1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
SMILESO=c1c(NCCC(F)(F)F)nccn1C1CC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)3-4-14-8-9(17)16(6-5-15-8)7-1-2-7/h5-7H,1-4H2,(H,14,15)
InChIKeyNJPQQLQSUHUVJC-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.94
Rot. Bonds4

About 1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one

1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one (PubChem CID 63226731) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
PubChem CID63226731
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
SMILESO=c1c(NCCC(F)(F)F)nccn1C1CC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)3-4-14-8-9(17)16(6-5-15-8)7-1-2-7/h5-7H,1-4H2,(H,14,15)
InChIKeyNJPQQLQSUHUVJC-UHFFFAOYSA-N
XLogP1.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Cyclopropylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015098
3-[(Propan-2-yl)amino]-1-propyl-1,2-dihydropyrazin-2-one
CID 53015090
1-Ethyl-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015091
1-(Propan-2-yl)-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015093
1-Ethyl-3-[(propan-2-yl)amino]-1,2-dihydropyrazin-2-one
CID 53015095
4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide
CID 71857665
1-Tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
CID 55174750
1-Propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
CID 55174947
1-Propan-2-yl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938252
1-Cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938253
1-Ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938254
1-Propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938255

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one (CID 63226731) is 1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one is O=c1c(NCCC(F)(F)F)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The InChIKey is NJPQQLQSUHUVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)3-4-14-8-9(17)16(6-5-15-8)7-1-2-7/h5-7H,1-4H2,(H,14,15).
What are the key properties of 1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one has a molecular weight of 247.22 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one is sourced from PubChem (CID 63226731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).