8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

C16H20F3N5O4 — CID 155842710

IUPAC8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESCOC1CCOC2(C1)CN(c1cc(C)nc3ncnn13)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N5O2.C2HF3O2/c1-10-5-12(19-13(17-10)15-9-16-19)18-7-14(8-18)6-11(20-2)3-4-21-14;3-2(4,5)1(6)7/h5,9,11H,3-4,6-8H2,1-2H3;(H,6,7)
InChIKeyHNYJQTREJNQMME-UHFFFAOYSA-N
MW403.36 g/mol
LogP1.45
Rot. Bonds2

About 8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (PubChem CID 155842710) has the molecular formula C16H20F3N5O4 and a molecular weight of 403.36 g/mol. Its IUPAC name is 8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
PubChem CID155842710
Molecular FormulaC16H20F3N5O4
Molecular Weight403.36 g/mol
Exact Mass403.15
IUPAC Name8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESCOC1CCOC2(C1)CN(c1cc(C)nc3ncnn13)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N5O2.C2HF3O2/c1-10-5-12(19-13(17-10)15-9-16-19)18-7-14(8-18)6-11(20-2)3-4-21-14;3-2(4,5)1(6)7/h5,9,11H,3-4,6-8H2,1-2H3;(H,6,7)
InChIKeyHNYJQTREJNQMME-UHFFFAOYSA-N
XLogP1.45
TPSA102.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56818204
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95580694
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95580695
7-(3-Ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133274321
4-[5-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133378238
1-[5-(Difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 138030017
N,N-dimethyl-1-[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methanamine;bis(2,2,2-trifluoroacetic acid)
CID 155826303
8-(Oxan-4-ylmethoxy)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155829251
7-[8-(Ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 155830817
2-[(2,5-Dimethylpyrazol-3-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155832549
7-[5-(Cyclopropylmethyl)-8-(ethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 155842732
N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155848402

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (CID 155842710) is 8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is COC1CCOC2(C1)CN(c1cc(C)nc3ncnn13)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The InChIKey is HNYJQTREJNQMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2.C2HF3O2/c1-10-5-12(19-13(17-10)15-9-16-19)18-7-14(8-18)6-11(20-2)3-4-21-14;3-2(4,5)1(6)7/h5,9,11H,3-4,6-8H2,1-2H3;(H,6,7).
What are the key properties of 8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid has a molecular weight of 403.36 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155842710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).