oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone

C16H18F3N5O2 — CID 46954977

IUPACoxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1
InChIInChI=1S/C16H18F3N5O2/c17-16(18,19)13-8-11(22-15-20-9-21-24(13)15)10-3-5-23(6-4-10)14(25)12-2-1-7-26-12/h8-10,12H,1-7H2
InChIKeySQSVGOFGHDHDAF-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.03
Rot. Bonds2

About oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone

oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone (PubChem CID 46954977) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
PubChem CID46954977
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Nameoxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1
InChIInChI=1S/C16H18F3N5O2/c17-16(18,19)13-8-11(22-15-20-9-21-24(13)15)10-3-5-23(6-4-10)14(25)12-2-1-7-26-12/h8-10,12H,1-7H2
InChIKeySQSVGOFGHDHDAF-UHFFFAOYSA-N
XLogP2.03
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-3,4-dihydro-1H-isochromen-1-yl]-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 92576255
2-hydroxypropane-1,2,3-tricarboxylic acid;(2-methylcyclopropyl)-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 171670466
2-phenyl-1-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]butan-1-one
CID 110221475
(2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one
CID 92567739
2-(2,4-dimethylphenoxy)-1-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propan-1-one
CID 110221484
1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 92631662
[(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92631759
(5-propan-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 110233960
[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 124999857
2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136874984
[(2R)-oxolan-2-yl]-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417973
5-[1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 110245286

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone (CID 46954977) is oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone is O=C(C1CCCO1)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1.
What is the InChIKey of oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?
The InChIKey is SQSVGOFGHDHDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c17-16(18,19)13-8-11(22-15-20-9-21-24(13)15)10-3-5-23(6-4-10)14(25)12-2-1-7-26-12/h8-10,12H,1-7H2.
What are the key properties of oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?
oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone has a molecular weight of 369.35 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46954977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).