1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone

C14H14F3N5O2 — CID 138051228

IUPAC1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCOC(C(=O)N1CCCn2nnnc21)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3N5O2/c1-24-11(9-5-2-3-6-10(9)14(15,16)17)12(23)21-7-4-8-22-13(21)18-19-20-22/h2-3,5-6,11H,4,7-8H2,1H3
InChIKeyMOHVQYVQYBYOIO-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.82
Rot. Bonds3

About 1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone

1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 138051228) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID138051228
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCOC(C(=O)N1CCCn2nnnc21)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3N5O2/c1-24-11(9-5-2-3-6-10(9)14(15,16)17)12(23)21-7-4-8-22-13(21)18-19-20-22/h2-3,5-6,11H,4,7-8H2,1H3
InChIKeyMOHVQYVQYBYOIO-UHFFFAOYSA-N
XLogP1.82
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone with MolForge

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Related Compounds

2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 138027459
1-[(3S,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone
CID 164641226
(2S)-1-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 95383373
1-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone
CID 138027054
2-methoxy-N-(2-methylpyrimidin-5-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 138025671
2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 136564651
2-chloro-1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanone
CID 62226867
1-[hydroperoxy(methoxy)methyl]-2-(trifluoromethyl)benzene
CID 14783520
N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide
CID 136563984
3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one
CID 94822095
1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate
CID 67316617
1-[(3-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 3970675

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone (CID 138051228) is 1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone is COC(C(=O)N1CCCn2nnnc21)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is MOHVQYVQYBYOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c1-24-11(9-5-2-3-6-10(9)14(15,16)17)12(23)21-7-4-8-22-13(21)18-19-20-22/h2-3,5-6,11H,4,7-8H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone?
1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 341.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 138051228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).