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

C10H11F3N4 — CID 2925368

IUPAC5-tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1cc(C(F)(F)F)n2ncnc2n1
InChIInChI=1S/C10H11F3N4/c1-9(2,3)6-4-7(10(11,12)13)17-8(16-6)14-5-15-17/h4-5H,1-3H3
InChIKeyZBYAPNVRRLJVKB-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.44
Rot. Bonds

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

5-tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 2925368) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 5-tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID2925368
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name5-tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1cc(C(F)(F)F)n2ncnc2n1
InChIInChI=1S/C10H11F3N4/c1-9(2,3)6-4-7(10(11,12)13)17-8(16-6)14-5-15-17/h4-5H,1-3H3
InChIKeyZBYAPNVRRLJVKB-UHFFFAOYSA-N
XLogP2.44
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 2925368) is 5-tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)(C)c1cc(C(F)(F)F)n2ncnc2n1.
What is the InChIKey of 5-tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZBYAPNVRRLJVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-9(2,3)6-4-7(10(11,12)13)17-8(16-6)14-5-15-17/h4-5H,1-3H3.
What are the key properties of 5-tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 244.22 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2925368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).