(5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid

C12H14F3N5O4 — CID 175933950

IUPAC(5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CC[C@@H](C(=O)N2CCn3cnnc3C2)N1
InChIInChI=1S/C10H13N5O2.C2HF3O2/c16-9-2-1-7(12-9)10(17)14-3-4-15-6-11-13-8(15)5-14;3-2(4,5)1(6)7/h6-7H,1-5H2,(H,12,16);(H,6,7)/t7-;/m0./s1
InChIKeyHZFZUZWJCPOSLN-FJXQXJEOSA-N
MW349.27 g/mol
LogP-0.47
Rot. Bonds1

About (5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid

(5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 175933950) has the molecular formula C12H14F3N5O4 and a molecular weight of 349.27 g/mol. Its IUPAC name is (5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID175933950
Molecular FormulaC12H14F3N5O4
Molecular Weight349.27 g/mol
Exact Mass349.10
IUPAC Name(5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CC[C@@H](C(=O)N2CCn3cnnc3C2)N1
InChIInChI=1S/C10H13N5O2.C2HF3O2/c16-9-2-1-7(12-9)10(17)14-3-4-15-6-11-13-8(15)5-14;3-2(4,5)1(6)7/h6-7H,1-5H2,(H,12,16);(H,6,7)/t7-;/m0./s1
InChIKeyHZFZUZWJCPOSLN-FJXQXJEOSA-N
XLogP-0.47
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(2S)-1-[(2S)-2-amino-5-oxo-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pentanoyl]pyrrolidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 49797501
(2S)-1-[(2S,3R)-2-amino-3-methyl-5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoyl]pyrrolidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 49797514
(2S)-1-[(2S,3R)-2-amino-3-ethyl-5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoyl]pyrrolidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 49797515
(2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 49797528
(2S)-1-[(2S)-2-amino-5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoyl]pyrrolidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 49797529
(2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile
CID 44572978
3-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 72123146
(4S)-4-amino-5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanamide
CID 69567211
[(2S)-pyrrolidin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 64575215
pyrrolidin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 64575600
(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96101102
(3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96101103

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of (5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid (CID 175933950) is (5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for (5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CC[C@@H](C(=O)N2CCn3cnnc3C2)N1.
What is the InChIKey of (5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is HZFZUZWJCPOSLN-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H13N5O2.C2HF3O2/c16-9-2-1-7(12-9)10(17)14-3-4-15-6-11-13-8(15)5-14;3-2(4,5)1(6)7/h6-7H,1-5H2,(H,12,16);(H,6,7)/t7-;/m0./s1.
What are the key properties of (5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
(5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 349.27 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175933950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).