5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C8H7F3N4 — CID 174520509

IUPAC5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cn2nc(C(F)(F)F)nc2nc1C
InChIInChI=1S/C8H7F3N4/c1-4-3-15-7(12-5(4)2)13-6(14-15)8(9,10)11/h3H,1-2H3
InChIKeyKAZMQHANXDFEJO-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.76
Rot. Bonds

About 5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 174520509) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID174520509
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cn2nc(C(F)(F)F)nc2nc1C
InChIInChI=1S/C8H7F3N4/c1-4-3-15-7(12-5(4)2)13-6(14-15)8(9,10)11/h3H,1-2H3
InChIKeyKAZMQHANXDFEJO-UHFFFAOYSA-N
XLogP1.76
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 174520509) is 5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cn2nc(C(F)(F)F)nc2nc1C.
What is the InChIKey of 5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KAZMQHANXDFEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c1-4-3-15-7(12-5(4)2)13-6(14-15)8(9,10)11/h3H,1-2H3.
What are the key properties of 5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 216.17 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 174520509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).