3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C10H10ClF3N4O — CID 133311164

IUPAC3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(Nc2cncc(Cl)n2)CCN1CC(F)(F)F
InChIInChI=1S/C10H10ClF3N4O/c11-7-3-15-4-8(17-7)16-6-1-2-18(9(6)19)5-10(12,13)14/h3-4,6H,1-2,5H2,(H,16,17)
InChIKeySAXGDLDTMLGEIK-UHFFFAOYSA-N
MW294.66 g/mol
LogP1.71
Rot. Bonds3

About 3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 133311164) has the molecular formula C10H10ClF3N4O and a molecular weight of 294.66 g/mol. Its IUPAC name is 3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID133311164
Molecular FormulaC10H10ClF3N4O
Molecular Weight294.66 g/mol
Exact Mass294.05
IUPAC Name3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(Nc2cncc(Cl)n2)CCN1CC(F)(F)F
InChIInChI=1S/C10H10ClF3N4O/c11-7-3-15-4-8(17-7)16-6-1-2-18(9(6)19)5-10(12,13)14/h3-4,6H,1-2,5H2,(H,16,17)
InChIKeySAXGDLDTMLGEIK-UHFFFAOYSA-N
XLogP1.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile
CID 133309917
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 133322183
3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 84586099
3-[2-chloro-5-(hydroxymethyl)anilino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 111336445
(3S)-3-[4-(1,2,4-triazol-1-yl)anilino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96567950
N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide
CID 96549749
3-(3,5-dimethoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;(Z)-1-fluoroprop-1-ene
CID 176696160
3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 128853403
2-fluoro-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzonitrile
CID 133311142
2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide
CID 71923583
1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 86938913
methyl (2S)-3,3-dimethyl-2-[[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]butanoate
CID 97225635

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 133311164) is 3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C(Nc2cncc(Cl)n2)CCN1CC(F)(F)F.
What is the InChIKey of 3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is SAXGDLDTMLGEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N4O/c11-7-3-15-4-8(17-7)16-6-1-2-18(9(6)19)5-10(12,13)14/h3-4,6H,1-2,5H2,(H,16,17).
What are the key properties of 3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 294.66 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 133311164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).