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

C12H8F3N5 — CID 25263423

IUPAC5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2c(F)cc(F)cc2F)n2ncnc2n1
InChIInChI=1S/C12H8F3N5/c1-6-2-10(20-12(18-6)16-5-17-20)19-11-8(14)3-7(13)4-9(11)15/h2-5,19H,1H3
InChIKeyVBQSTNKULZAPID-UHFFFAOYSA-N
MW279.23 g/mol
LogP2.59
Rot. Bonds2

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

5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 25263423) has the molecular formula C12H8F3N5 and a molecular weight of 279.23 g/mol. Its IUPAC name is 5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID25263423
Molecular FormulaC12H8F3N5
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2c(F)cc(F)cc2F)n2ncnc2n1
InChIInChI=1S/C12H8F3N5/c1-6-2-10(20-12(18-6)16-5-17-20)19-11-8(14)3-7(13)4-9(11)15/h2-5,19H,1H3
InChIKeyVBQSTNKULZAPID-UHFFFAOYSA-N
XLogP2.59
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 25263423) is 5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2c(F)cc(F)cc2F)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VBQSTNKULZAPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5/c1-6-2-10(20-12(18-6)16-5-17-20)19-11-8(14)3-7(13)4-9(11)15/h2-5,19H,1H3.
What are the key properties of 5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 279.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 25263423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).