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

C12H6ClF3N4 — CID 43327083

IUPAC7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESFC(F)(F)c1ccc(-c2nnc3cc(Cl)ncn23)cc1
InChIInChI=1S/C12H6ClF3N4/c13-9-5-10-18-19-11(20(10)6-17-9)7-1-3-8(4-2-7)12(14,15)16/h1-6H
InChIKeyUUXCFTOOYUGIDB-UHFFFAOYSA-N
MW298.66 g/mol
LogP3.46
Rot. Bonds1

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

7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 43327083) has the molecular formula C12H6ClF3N4 and a molecular weight of 298.66 g/mol. Its IUPAC name is 7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID43327083
Molecular FormulaC12H6ClF3N4
Molecular Weight298.66 g/mol
Exact Mass298.02
IUPAC Name7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESFC(F)(F)c1ccc(-c2nnc3cc(Cl)ncn23)cc1
InChIInChI=1S/C12H6ClF3N4/c13-9-5-10-18-19-11(20(10)6-17-9)7-1-3-8(4-2-7)12(14,15)16/h1-6H
InChIKeyUUXCFTOOYUGIDB-UHFFFAOYSA-N
XLogP3.46
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.66
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)benzonitrile
CID 43144435
7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144489
7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 3696703
3-(1,3-benzodioxol-5-yl)-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327078
7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327109
3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145311
7-chloro-3-(2,4-difluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 113396511
3-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N,N-dimethylaniline
CID 43329194
7-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43248580
7-chloro-3-(2-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 62508923
7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144429
2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline
CID 66269737

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine (CID 43327083) is 7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine is FC(F)(F)c1ccc(-c2nnc3cc(Cl)ncn23)cc1.
What is the InChIKey of 7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is UUXCFTOOYUGIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N4/c13-9-5-10-18-19-11(20(10)6-17-9)7-1-3-8(4-2-7)12(14,15)16/h1-6H.
What are the key properties of 7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 298.66 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 43327083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).