5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H14F3N5 — CID 58994009

IUPAC5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccccc1-c1c(C)nc2ncnn2c1NCC(F)(F)F
InChIInChI=1S/C15H14F3N5/c1-9-5-3-4-6-11(9)12-10(2)22-14-20-8-21-23(14)13(12)19-7-15(16,17)18/h3-6,8,19H,7H2,1-2H3
InChIKeyGTLSRINUUXYOGB-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.38
Rot. Bonds3

About 5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58994009) has the molecular formula C15H14F3N5 and a molecular weight of 321.31 g/mol. Its IUPAC name is 5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID58994009
Molecular FormulaC15H14F3N5
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC Name5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccccc1-c1c(C)nc2ncnn2c1NCC(F)(F)F
InChIInChI=1S/C15H14F3N5/c1-9-5-3-4-6-11(9)12-10(2)22-14-20-8-21-23(14)13(12)19-7-15(16,17)18/h3-6,8,19H,7H2,1-2H3
InChIKeyGTLSRINUUXYOGB-UHFFFAOYSA-N
XLogP3.38
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
Unc569
CID 53355503
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
3MB-PP1
CID 24865390
1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905144
Dsm-74
CID 25263414
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
1-Tert-butyl-3-naphthalen-1-ylpyrazolo(3,4-d)pyrimidin-4-amine
CID 4877

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 58994009) is 5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1ccccc1-c1c(C)nc2ncnn2c1NCC(F)(F)F.
What is the InChIKey of 5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GTLSRINUUXYOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5/c1-9-5-3-4-6-11(9)12-10(2)22-14-20-8-21-23(14)13(12)19-7-15(16,17)18/h3-6,8,19H,7H2,1-2H3.
What are the key properties of 5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 321.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58994009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).