1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one

C11H16F3N3O2 — CID 103888359

IUPAC1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC(O)C(F)(F)F)c1=O
InChIInChI=1S/C11H16F3N3O2/c1-7(2)6-17-4-3-15-9(10(17)19)16-5-8(18)11(12,13)14/h3-4,7-8,18H,5-6H2,1-2H3,(H,15,16)
InChIKeyFVWXYAVJGIEAJW-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.23
Rot. Bonds5

About 1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one

1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one (PubChem CID 103888359) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one
PubChem CID103888359
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC(O)C(F)(F)F)c1=O
InChIInChI=1S/C11H16F3N3O2/c1-7(2)6-17-4-3-15-9(10(17)19)16-5-8(18)11(12,13)14/h3-4,7-8,18H,5-6H2,1-2H3,(H,15,16)
InChIKeyFVWXYAVJGIEAJW-UHFFFAOYSA-N
XLogP1.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one (CID 103888359) is 1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one is CC(C)Cn1ccnc(NCC(O)C(F)(F)F)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one?
The InChIKey is FVWXYAVJGIEAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-7(2)6-17-4-3-15-9(10(17)19)16-5-8(18)11(12,13)14/h3-4,7-8,18H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one?
1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one has a molecular weight of 279.26 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazin-2-one is sourced from PubChem (CID 103888359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).