5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine

C19H13F3N4O2 — CID 133289643

IUPAC5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)COc1ccccc1Oc1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C19H13F3N4O2/c20-19(21,22)11-27-15-8-4-5-9-16(15)28-17-10-14(13-6-2-1-3-7-13)25-18-23-12-24-26(17)18/h1-10,12H,11H2
InChIKeyYVLMXZQALDFLCG-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.52
Rot. Bonds5

About 5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine

5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133289643) has the molecular formula C19H13F3N4O2 and a molecular weight of 386.33 g/mol. Its IUPAC name is 5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID133289643
Molecular FormulaC19H13F3N4O2
Molecular Weight386.33 g/mol
Exact Mass386.10
IUPAC Name5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)COc1ccccc1Oc1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C19H13F3N4O2/c20-19(21,22)11-27-15-8-4-5-9-16(15)28-17-10-14(13-6-2-1-3-7-13)25-18-23-12-24-26(17)18/h1-10,12H,11H2
InChIKeyYVLMXZQALDFLCG-UHFFFAOYSA-N
XLogP4.52
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 167950195
4-nitro-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzaldehyde
CID 133279574
5-pyridin-4-yl-7-pyridin-4-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 143398176
2-phenyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 135043638
3-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenoxy]azepan-2-one
CID 133289613
5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 895690
2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
CID 135727318
N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78799849
5-(3-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2055225
1-phenyl-2-(2,2,2-trifluoroethoxy)benzene
CID 86122224
N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133327350
N-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46097425

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133289643) is 5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)COc1ccccc1Oc1cc(-c2ccccc2)nc2ncnn12.
What is the InChIKey of 5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is YVLMXZQALDFLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2/c20-19(21,22)11-27-15-8-4-5-9-16(15)28-17-10-14(13-6-2-1-3-7-13)25-18-23-12-24-26(17)18/h1-10,12H,11H2.
What are the key properties of 5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 386.33 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-[2-(2,2,2-trifluoroethoxy)phenoxy]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133289643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).