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

C8H10F3N3O — CID 63226732

IUPAC1-methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
SMILESCn1ccnc(NCCC(F)(F)F)c1=O
InChIInChI=1S/C8H10F3N3O/c1-14-5-4-13-6(7(14)15)12-3-2-8(9,10)11/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyMWTTUNRQIZEQLQ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.14
Rot. Bonds3

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

1-methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one (PubChem CID 63226732) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
PubChem CID63226732
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name1-methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
SMILESCn1ccnc(NCCC(F)(F)F)c1=O
InChIInChI=1S/C8H10F3N3O/c1-14-5-4-13-6(7(14)15)12-3-2-8(9,10)11/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyMWTTUNRQIZEQLQ-UHFFFAOYSA-N
XLogP1.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one (CID 63226732) is 1-methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one is Cn1ccnc(NCCC(F)(F)F)c1=O.
What is the InChIKey of 1-methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The InChIKey is MWTTUNRQIZEQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-14-5-4-13-6(7(14)15)12-3-2-8(9,10)11/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 1-methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
1-methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one has a molecular weight of 221.18 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one is sourced from PubChem (CID 63226732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).