2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

C8H9F3N4O2 — CID 63932908

IUPAC2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCn2cnnc2C1
InChIInChI=1S/C8H9F3N4O2/c9-8(10,11)4-17-7(16)14-1-2-15-5-12-13-6(15)3-14/h5H,1-4H2
InChIKeyZYKYNAPAJKEBGP-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.79
Rot. Bonds1

About 2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (PubChem CID 63932908) has the molecular formula C8H9F3N4O2 and a molecular weight of 250.18 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
PubChem CID63932908
Molecular FormulaC8H9F3N4O2
Molecular Weight250.18 g/mol
Exact Mass250.07
IUPAC Name2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCn2cnnc2C1
InChIInChI=1S/C8H9F3N4O2/c9-8(10,11)4-17-7(16)14-1-2-15-5-12-13-6(15)3-14/h5H,1-4H2
InChIKeyZYKYNAPAJKEBGP-UHFFFAOYSA-N
XLogP0.79
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate with MolForge

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Related Compounds

Tert-butyl 3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-A]pyrazine-7(8H)-carboxylate
CID 24777687
tert-Butyl 2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7(8H)-carboxylate
CID 53393358
3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
CID 68524743
tert-butyl 5-methoxy-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 118136393
tert-butyl 5-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 118136397
2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde
CID 134264378
(2,2,2-trifluoroacetyl) 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 134264380
acetylene;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 172380055
[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetyl] 2,2,2-trifluoroacetate
CID 175088395
2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid
CID 175933973
tert-butyl 3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 178478733
2,2,2-trifluoroethyl N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]carbamate
CID 47002368

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (CID 63932908) is 2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is O=C(OCC(F)(F)F)N1CCn2cnnc2C1.
What is the InChIKey of 2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The InChIKey is ZYKYNAPAJKEBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2/c9-8(10,11)4-17-7(16)14-1-2-15-5-12-13-6(15)3-14/h5H,1-4H2.
What are the key properties of 2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate has a molecular weight of 250.18 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is sourced from PubChem (CID 63932908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).