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

C10H11F3N4 — CID 129259295

IUPAC6-ethyl-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2nc(C(F)(F)F)nn2c1C
InChIInChI=1S/C10H11F3N4/c1-4-7-5(2)14-9-15-8(10(11,12)13)16-17(9)6(7)3/h4H2,1-3H3
InChIKeyIMNSKFHBSSIIAG-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.32
Rot. Bonds1

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

6-ethyl-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 129259295) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 6-ethyl-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-ethyl-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID129259295
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name6-ethyl-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2nc(C(F)(F)F)nn2c1C
InChIInChI=1S/C10H11F3N4/c1-4-7-5(2)14-9-15-8(10(11,12)13)16-17(9)6(7)3/h4H2,1-3H3
InChIKeyIMNSKFHBSSIIAG-UHFFFAOYSA-N
XLogP2.32
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-ethyl-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 129259295) is 6-ethyl-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-ethyl-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-ethyl-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1c(C)nc2nc(C(F)(F)F)nn2c1C.
What is the InChIKey of 6-ethyl-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is IMNSKFHBSSIIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-4-7-5(2)14-9-15-8(10(11,12)13)16-17(9)6(7)3/h4H2,1-3H3.
What are the key properties of 6-ethyl-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
6-ethyl-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 244.22 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 129259295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).