6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine

C6H2ClF3N4 — CID 57355148

IUPAC6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine
SMILESFC(F)(F)c1nc2ccc(Cl)nn2n1
InChIInChI=1S/C6H2ClF3N4/c7-3-1-2-4-11-5(6(8,9)10)13-14(4)12-3/h1-2H
InChIKeyNXIUPYMZPSDTDN-UHFFFAOYSA-N
MW222.56 g/mol
LogP1.80
Rot. Bonds

About 6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine

6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 57355148) has the molecular formula C6H2ClF3N4 and a molecular weight of 222.56 g/mol. Its IUPAC name is 6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID57355148
Molecular FormulaC6H2ClF3N4
Molecular Weight222.56 g/mol
Exact Mass221.99
IUPAC Name6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine
SMILESFC(F)(F)c1nc2ccc(Cl)nn2n1
InChIInChI=1S/C6H2ClF3N4/c7-3-1-2-4-11-5(6(8,9)10)13-14(4)12-3/h1-2H
InChIKeyNXIUPYMZPSDTDN-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

5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 140866081
5-chloro-7-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 89242629
ethane;1-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 162440075
5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 172820478
1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole
CID 154248512
5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 134457854
2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
CID 135905252
4-[[3,5-bis(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-2-chloroaniline
CID 87300124
2-[[3,5-bis(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-4-chloroaniline
CID 87299785
6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine
CID 168873722
5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 165483009
2-(2,4-dimethylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine;sulfuryl dichloride
CID 174714238

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine (CID 57355148) is 6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine is FC(F)(F)c1nc2ccc(Cl)nn2n1.
What is the InChIKey of 6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is NXIUPYMZPSDTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N4/c7-3-1-2-4-11-5(6(8,9)10)13-14(4)12-3/h1-2H.
What are the key properties of 6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine?
6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine 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 6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 57355148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).