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

C7H6F3N5 — CID 2376946

IUPAC5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C7H6F3N5/c1-3-2-4(11)15-6(12-3)13-5(14-15)7(8,9)10/h2H,11H2,1H3
InChIKeyQRCPPCZBRATEIF-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.03
Rot. Bonds

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

5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2376946) has the molecular formula C7H6F3N5 and a molecular weight of 217.15 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID2376946
Molecular FormulaC7H6F3N5
Molecular Weight217.15 g/mol
Exact Mass217.06
IUPAC Name5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C7H6F3N5/c1-3-2-4(11)15-6(12-3)13-5(14-15)7(8,9)10/h2H,11H2,1H3
InChIKeyQRCPPCZBRATEIF-UHFFFAOYSA-N
XLogP1.03
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 2376946) is 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QRCPPCZBRATEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5/c1-3-2-4(11)15-6(12-3)13-5(14-15)7(8,9)10/h2H,11H2,1H3.
What are the key properties of 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 217.15 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2376946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).