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

C7H6F3N5 — CID 2423937

IUPAC7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cc(N)nc2nc(C(F)(F)F)nn12
InChIInChI=1S/C7H6F3N5/c1-3-2-4(11)12-6-13-5(7(8,9)10)14-15(3)6/h2H,1H3,(H2,11,12,13,14)
InChIKeyJHLAEDYPMUOURZ-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.03
Rot. Bonds

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

7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine (PubChem CID 2423937) has the molecular formula C7H6F3N5 and a molecular weight of 217.15 g/mol. Its IUPAC name is 7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
PubChem CID2423937
Molecular FormulaC7H6F3N5
Molecular Weight217.15 g/mol
Exact Mass217.06
IUPAC Name7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cc(N)nc2nc(C(F)(F)F)nn12
InChIInChI=1S/C7H6F3N5/c1-3-2-4(11)12-6-13-5(7(8,9)10)14-15(3)6/h2H,1H3,(H2,11,12,13,14)
InChIKeyJHLAEDYPMUOURZ-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 7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine (CID 2423937) is 7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine is Cc1cc(N)nc2nc(C(F)(F)F)nn12.
What is the InChIKey of 7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is JHLAEDYPMUOURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5/c1-3-2-4(11)12-6-13-5(7(8,9)10)14-15(3)6/h2H,1H3,(H2,11,12,13,14).
What are the key properties of 7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine?
7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-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 7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 2423937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).