1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one

C9H12F3N3O — CID 62938255

IUPAC1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
SMILESCCCn1ccnc(NCC(F)(F)F)c1=O
InChIInChI=1S/C9H12F3N3O/c1-2-4-15-5-3-13-7(8(15)16)14-6-9(10,11)12/h3,5H,2,4,6H2,1H3,(H,13,14)
InChIKeyVYFHQOJWNSYEPJ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.63
Rot. Bonds4

About 1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one

1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one (PubChem CID 62938255) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
PubChem CID62938255
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
SMILESCCCn1ccnc(NCC(F)(F)F)c1=O
InChIInChI=1S/C9H12F3N3O/c1-2-4-15-5-3-13-7(8(15)16)14-6-9(10,11)12/h3,5H,2,4,6H2,1H3,(H,13,14)
InChIKeyVYFHQOJWNSYEPJ-UHFFFAOYSA-N
XLogP1.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The IUPAC name of 1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one (CID 62938255) is 1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one.
What is the SMILES notation for 1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The canonical SMILES for 1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one is CCCn1ccnc(NCC(F)(F)F)c1=O.
What is the InChIKey of 1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The InChIKey is VYFHQOJWNSYEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-2-4-15-5-3-13-7(8(15)16)14-6-9(10,11)12/h3,5H,2,4,6H2,1H3,(H,13,14).
What are the key properties of 1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one has a molecular weight of 235.21 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one is sourced from PubChem (CID 62938255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).