[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C16H13F3N6O2 — CID 126853689

IUPAC[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1cc(OC2CN(C(=O)c3ccc(C(F)(F)F)nc3)C2)n2ncnc2n1
InChIInChI=1S/C16H13F3N6O2/c1-9-4-13(25-15(23-9)21-8-22-25)27-11-6-24(7-11)14(26)10-2-3-12(20-5-10)16(17,18)19/h2-5,8,11H,6-7H2,1H3
InChIKeyHREGXMQVOCHSAH-UHFFFAOYSA-N
MW378.31 g/mol
LogP1.75
Rot. Bonds3

About [3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 126853689) has the molecular formula C16H13F3N6O2 and a molecular weight of 378.31 g/mol. Its IUPAC name is [3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID126853689
Molecular FormulaC16H13F3N6O2
Molecular Weight378.31 g/mol
Exact Mass378.11
IUPAC Name[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1cc(OC2CN(C(=O)c3ccc(C(F)(F)F)nc3)C2)n2ncnc2n1
InChIInChI=1S/C16H13F3N6O2/c1-9-4-13(25-15(23-9)21-8-22-25)27-11-6-24(7-11)14(26)10-2-3-12(20-5-10)16(17,18)19/h2-5,8,11H,6-7H2,1H3
InChIKeyHREGXMQVOCHSAH-UHFFFAOYSA-N
XLogP1.75
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

(2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone
CID 126853668
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone
CID 126851385
[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126858134
2-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252515
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 51931215
[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexyl]methanol
CID 106825812
2-(1,3-benzodioxol-5-yloxy)-1-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]propan-1-one
CID 126855344
(3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122243290
(6-methoxy-3-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118472520
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122333070
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
(3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
CID 128984135

Frequently Asked Questions

What is the IUPAC name of [3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 126853689) is [3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is Cc1cc(OC2CN(C(=O)c3ccc(C(F)(F)F)nc3)C2)n2ncnc2n1.
What is the InChIKey of [3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is HREGXMQVOCHSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O2/c1-9-4-13(25-15(23-9)21-8-22-25)27-11-6-24(7-11)14(26)10-2-3-12(20-5-10)16(17,18)19/h2-5,8,11H,6-7H2,1H3.
What are the key properties of [3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 378.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 126853689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).