5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C9H9F3N4 — CID 162403043

IUPAC5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(C)c1CC(F)(F)F
InChIInChI=1S/C9H9F3N4/c1-5-7(3-9(10,11)12)6(2)16-8(15-5)13-4-14-16/h4H,3H2,1-2H3
InChIKeyHIGLAAFUGNJDBI-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.85
Rot. Bonds1

About 5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 162403043) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID162403043
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(C)c1CC(F)(F)F
InChIInChI=1S/C9H9F3N4/c1-5-7(3-9(10,11)12)6(2)16-8(15-5)13-4-14-16/h4H,3H2,1-2H3
InChIKeyHIGLAAFUGNJDBI-UHFFFAOYSA-N
XLogP1.85
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 162403043) is 5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(C)c1CC(F)(F)F.
What is the InChIKey of 5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HIGLAAFUGNJDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-5-7(3-9(10,11)12)6(2)16-8(15-5)13-4-14-16/h4H,3H2,1-2H3.
What are the key properties of 5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 230.19 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162403043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).