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

C7H5F3N4 — CID 671687

IUPAC5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2ncnc2n1
InChIInChI=1S/C7H5F3N4/c1-4-2-5(7(8,9)10)14-6(13-4)11-3-12-14/h2-3H,1H3
InChIKeySMCIYLFZDNWHFE-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.45
Rot. Bonds

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

5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 671687) has the molecular formula C7H5F3N4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID671687
Molecular FormulaC7H5F3N4
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Name5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2ncnc2n1
InChIInChI=1S/C7H5F3N4/c1-4-2-5(7(8,9)10)14-6(13-4)11-3-12-14/h2-3H,1H3
InChIKeySMCIYLFZDNWHFE-UHFFFAOYSA-N
XLogP1.45
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 671687) is 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SMCIYLFZDNWHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4/c1-4-2-5(7(8,9)10)14-6(13-4)11-3-12-14/h2-3H,1H3.
What are the key properties of 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 202.14 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 671687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).