2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H6F3N5 — CID 68722417

IUPAC2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2nc(-c3c(F)cc(F)cc3F)nn12
InChIInChI=1S/C11H6F3N5/c12-5-3-6(13)9(7(14)4-5)10-17-11-16-2-1-8(15)19(11)18-10/h1-4H,15H2
InChIKeyWDAOJHRPYXLTDC-UHFFFAOYSA-N
MW265.20 g/mol
LogP1.79
Rot. Bonds1

About 2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 68722417) has the molecular formula C11H6F3N5 and a molecular weight of 265.20 g/mol. Its IUPAC name is 2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID68722417
Molecular FormulaC11H6F3N5
Molecular Weight265.20 g/mol
Exact Mass265.06
IUPAC Name2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2nc(-c3c(F)cc(F)cc3F)nn12
InChIInChI=1S/C11H6F3N5/c12-5-3-6(13)9(7(14)4-5)10-17-11-16-2-1-8(15)19(11)18-10/h1-4H,15H2
InChIKeyWDAOJHRPYXLTDC-UHFFFAOYSA-N
XLogP1.79
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69129574
6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 112681459
2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103364
7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 1478926
[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 2763474
2-(2,6-difluorophenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499310
2-(2,6-difluorophenyl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499311
6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 68935735
2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117133013
3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine
CID 146674023
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312245
2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
CID 116795301

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 68722417) is 2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Nc1ccnc2nc(-c3c(F)cc(F)cc3F)nn12.
What is the InChIKey of 2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WDAOJHRPYXLTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5/c12-5-3-6(13)9(7(14)4-5)10-17-11-16-2-1-8(15)19(11)18-10/h1-4H,15H2.
What are the key properties of 2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 265.20 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 68722417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).