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

C11H6F3N5 — CID 68935735

IUPAC6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2c(F)cc(F)cc2F)cnc2ncnn12
InChIInChI=1S/C11H6F3N5/c12-5-1-7(13)9(8(14)2-5)6-3-16-11-17-4-18-19(11)10(6)15/h1-4H,15H2
InChIKeyPNOPBSXMLRNRPQ-UHFFFAOYSA-N
MW265.20 g/mol
LogP1.79
Rot. Bonds1

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

6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 68935735) has the molecular formula C11H6F3N5 and a molecular weight of 265.20 g/mol. Its IUPAC name is 6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID68935735
Molecular FormulaC11H6F3N5
Molecular Weight265.20 g/mol
Exact Mass265.06
IUPAC Name6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2c(F)cc(F)cc2F)cnc2ncnn12
InChIInChI=1S/C11H6F3N5/c12-5-1-7(13)9(8(14)2-5)6-3-16-11-17-4-18-19(11)10(6)15/h1-4H,15H2
InChIKeyPNOPBSXMLRNRPQ-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

7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 25219471
7-(bromomethyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 87779510
4-(2,4-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350174
2-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141176842
[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 2763474
5,7-dichloro-6-(2,4-difluoro-6-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 11336494
1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine
CID 58819889
5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 162646186
6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25154895
7-hexan-3-yl-5-methyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 57490893
7-(8-azabicyclo[3.2.1]octan-8-yl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166799903
N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 10222209

Frequently Asked Questions

What is the IUPAC name of 6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 68935735) is 6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Nc1c(-c2c(F)cc(F)cc2F)cnc2ncnn12.
What is the InChIKey of 6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PNOPBSXMLRNRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5/c12-5-1-7(13)9(8(14)2-5)6-3-16-11-17-4-18-19(11)10(6)15/h1-4H,15H2.
What are the key properties of 6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-(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 6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 68935735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).