7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C6H2ClF3N4 — CID 16768300

IUPAC7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Cl)n2ncnc2n1
InChIInChI=1S/C6H2ClF3N4/c7-4-1-3(6(8,9)10)13-5-11-2-12-14(4)5/h1-2H
InChIKeyXIJVOFVFGZWNSZ-UHFFFAOYSA-N
MW222.56 g/mol
LogP1.80
Rot. Bonds

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

7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 16768300) has the molecular formula C6H2ClF3N4 and a molecular weight of 222.56 g/mol. Its IUPAC name is 7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID16768300
Molecular FormulaC6H2ClF3N4
Molecular Weight222.56 g/mol
Exact Mass221.99
IUPAC Name7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Cl)n2ncnc2n1
InChIInChI=1S/C6H2ClF3N4/c7-4-1-3(6(8,9)10)13-5-11-2-12-14(4)5/h1-2H
InChIKeyXIJVOFVFGZWNSZ-UHFFFAOYSA-N
XLogP1.80
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.56
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 520127
5-Methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 671687
7-Chloro-2,5-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 15575744
7-Chloro-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1500131
7-Chloro-5,6-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 15516618
7-Chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16768034
7-Chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16768222
5-Chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 84687193
5-(Trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 12012770
7-Chloro-5-methyl-2-propyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 6625149
7-Chloro-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 83096542
5-Trifluoromethyltetrazolo[1,5-a]pyrimidine
CID 12012773

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 16768300) is 7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(Cl)n2ncnc2n1.
What is the InChIKey of 7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XIJVOFVFGZWNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N4/c7-4-1-3(6(8,9)10)13-5-11-2-12-14(4)5/h1-2H.
What are the key properties of 7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 222.56 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 16768300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).