1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one

C7H6F3N3O — CID 58388793

IUPAC1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one
SMILESO=C(CNc1cnccn1)C(F)(F)F
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)5(14)3-13-6-4-11-1-2-12-6/h1-2,4H,3H2,(H,12,13)
InChIKeyYPSZUKOLJYYSQH-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.02
Rot. Bonds3

About 1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one

1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one (PubChem CID 58388793) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one
PubChem CID58388793
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC Name1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one
SMILESO=C(CNc1cnccn1)C(F)(F)F
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)5(14)3-13-6-4-11-1-2-12-6/h1-2,4H,3H2,(H,12,13)
InChIKeyYPSZUKOLJYYSQH-UHFFFAOYSA-N
XLogP1.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-Trifluoro-N-2-pyrazinylacetamide
CID 198729
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3,3,3-trifluoro-N-pyrazin-2-ylpropanamide
CID 86794698
2-fluoro-N-pyrazin-2-ylacetamide
CID 155666244
N-(2,2,2-trifluoroethyl)pyrazin-2-amine
CID 29297647
N-(3,3,3-trifluoropropyl)pyrazin-2-amine
CID 63226687
2,2-Difluoro-n-(3-fluoro-pyrazin-2-yl)-acetamide
CID 75530032
2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine
CID 79034082
N-(4,4,4-trifluorobutyl)pyrazin-2-amine
CID 79040054
N-(2,2-difluoroethyl)pyrazin-2-amine
CID 79098289
N-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261775
2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80647435

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one (CID 58388793) is 1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one is O=C(CNc1cnccn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one?
The InChIKey is YPSZUKOLJYYSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c8-7(9,10)5(14)3-13-6-4-11-1-2-12-6/h1-2,4H,3H2,(H,12,13).
What are the key properties of 1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one?
1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one has a molecular weight of 205.14 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(pyrazin-2-ylamino)propan-2-one is sourced from PubChem (CID 58388793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).