5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine

C8H6ClF3N4O — CID 103075855

IUPAC5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1OCC(F)(F)F
InChIInChI=1S/C8H6ClF3N4O/c1-4-5(9)15-7-13-3-14-16(7)6(4)17-2-8(10,11)12/h3H,2H2,1H3
InChIKeyRQYYEBYILZIVOU-UHFFFAOYSA-N
MW266.61 g/mol
LogP2.03
Rot. Bonds2

About 5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 103075855) has the molecular formula C8H6ClF3N4O and a molecular weight of 266.61 g/mol. Its IUPAC name is 5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID103075855
Molecular FormulaC8H6ClF3N4O
Molecular Weight266.61 g/mol
Exact Mass266.02
IUPAC Name5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1OCC(F)(F)F
InChIInChI=1S/C8H6ClF3N4O/c1-4-5(9)15-7-13-3-14-16(7)6(4)17-2-8(10,11)12/h3H,2H2,1H3
InChIKeyRQYYEBYILZIVOU-UHFFFAOYSA-N
XLogP2.03
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.61
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 103075855) is 5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2ncnn2c1OCC(F)(F)F.
What is the InChIKey of 5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RQYYEBYILZIVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N4O/c1-4-5(9)15-7-13-3-14-16(7)6(4)17-2-8(10,11)12/h3H,2H2,1H3.
What are the key properties of 5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 266.61 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 103075855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).