5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C12H4Cl3F3N4 — CID 10133594

IUPAC5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccc(Cl)c(-c2c(Cl)nc3ncnn3c2Cl)c1
InChIInChI=1S/C12H4Cl3F3N4/c13-7-2-1-5(12(16,17)18)3-6(7)8-9(14)21-11-19-4-20-22(11)10(8)15/h1-4H
InChIKeyCTHIDEUWUOECIV-UHFFFAOYSA-N
MW367.55 g/mol
LogP4.77
Rot. Bonds1

About 5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 10133594) has the molecular formula C12H4Cl3F3N4 and a molecular weight of 367.55 g/mol. Its IUPAC name is 5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID10133594
Molecular FormulaC12H4Cl3F3N4
Molecular Weight367.55 g/mol
Exact Mass365.95
IUPAC Name5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccc(Cl)c(-c2c(Cl)nc3ncnn3c2Cl)c1
InChIInChI=1S/C12H4Cl3F3N4/c13-7-2-1-5(12(16,17)18)3-6(7)8-9(14)21-11-19-4-20-22(11)10(8)15/h1-4H
InChIKeyCTHIDEUWUOECIV-UHFFFAOYSA-N
XLogP4.77
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.55
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-6-(2,6-difluoro-4-iodophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166514871
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1088123
5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 22440103
5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 22440098
2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol
CID 72923582
5,7-dichloro-6-(2,4-difluoro-6-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 11336494
5-chloro-6-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 10183325
5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 895690
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1,2,4-triazole
CID 163359401
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601
7-(azepan-1-yl)-5-chloro-6-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 10134357

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 10133594) is 5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1ccc(Cl)c(-c2c(Cl)nc3ncnn3c2Cl)c1.
What is the InChIKey of 5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CTHIDEUWUOECIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl3F3N4/c13-7-2-1-5(12(16,17)18)3-6(7)8-9(14)21-11-19-4-20-22(11)10(8)15/h1-4H.
What are the key properties of 5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 367.55 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 10133594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).