2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone

C15H20F3N5O3 — CID 91956889

IUPAC2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)COCC(=O)N1CCCC1
InChIInChI=1S/C15H20F3N5O3/c1-10-13-19-20-14(15(16,17)18)23(13)7-6-22(10)12(25)9-26-8-11(24)21-4-2-3-5-21/h10H,2-9H2,1H3
InChIKeyYNVPLAUODRTBJM-UHFFFAOYSA-N
MW375.35 g/mol
LogP0.84
Rot. Bonds4

About 2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone

2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 91956889) has the molecular formula C15H20F3N5O3 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
PubChem CID91956889
Molecular FormulaC15H20F3N5O3
Molecular Weight375.35 g/mol
Exact Mass375.15
IUPAC Name2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)COCC(=O)N1CCCC1
InChIInChI=1S/C15H20F3N5O3/c1-10-13-19-20-14(15(16,17)18)23(13)7-6-22(10)12(25)9-26-8-11(24)21-4-2-3-5-21/h10H,2-9H2,1H3
InChIKeyYNVPLAUODRTBJM-UHFFFAOYSA-N
XLogP0.84
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86772319
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 45823588
1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 53498289
1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 53594692
ethyl 2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate
CID 64575286
2-ethoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 64590977
2-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 64590978
(4-ethylmorpholin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 71984058
2-propan-2-yloxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 72041037
2-(2-aminoethoxy)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 79479875
N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86772504
2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone
CID 91956677

Frequently Asked Questions

What is the IUPAC name of 2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone (CID 91956889) is 2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone is CC1c2nnc(C(F)(F)F)n2CCN1C(=O)COCC(=O)N1CCCC1.
What is the InChIKey of 2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is YNVPLAUODRTBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O3/c1-10-13-19-20-14(15(16,17)18)23(13)7-6-22(10)12(25)9-26-8-11(24)21-4-2-3-5-21/h10H,2-9H2,1H3.
What are the key properties of 2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone?
2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 375.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 91956889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).