7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine

C8H6ClF3N4O — CID 103208762

IUPAC7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESFC(F)(F)COCc1nnc2cc(Cl)ncn12
InChIInChI=1S/C8H6ClF3N4O/c9-5-1-6-14-15-7(16(6)4-13-5)2-17-3-8(10,11)12/h1,4H,2-3H2
InChIKeyXNZBAKBMBYJGII-UHFFFAOYSA-N
MW266.61 g/mol
LogP1.86
Rot. Bonds3

About 7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 103208762) has the molecular formula C8H6ClF3N4O and a molecular weight of 266.61 g/mol. Its IUPAC name is 7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID103208762
Molecular FormulaC8H6ClF3N4O
Molecular Weight266.61 g/mol
Exact Mass266.02
IUPAC Name7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESFC(F)(F)COCc1nnc2cc(Cl)ncn12
InChIInChI=1S/C8H6ClF3N4O/c9-5-1-6-14-15-7(16(6)4-13-5)2-17-3-8(10,11)12/h1,4H,2-3H2
InChIKeyXNZBAKBMBYJGII-UHFFFAOYSA-N
XLogP1.86
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.61
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 103208762) is 7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine is FC(F)(F)COCc1nnc2cc(Cl)ncn12.
What is the InChIKey of 7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is XNZBAKBMBYJGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N4O/c9-5-1-6-14-15-7(16(6)4-13-5)2-17-3-8(10,11)12/h1,4H,2-3H2.
What are the key properties of 7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 266.61 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 103208762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).