6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C6H3ClF3N5 — CID 58045773

IUPAC6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESNc1nnc2c(C(F)(F)F)cc(Cl)nn12
InChIInChI=1S/C6H3ClF3N5/c7-3-1-2(6(8,9)10)4-12-13-5(11)15(4)14-3/h1H,(H2,11,13)
InChIKeyYYQWCLPLINGDNQ-UHFFFAOYSA-N
MW237.57 g/mol
LogP1.38
Rot. Bonds

About 6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 58045773) has the molecular formula C6H3ClF3N5 and a molecular weight of 237.57 g/mol. Its IUPAC name is 6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID58045773
Molecular FormulaC6H3ClF3N5
Molecular Weight237.57 g/mol
Exact Mass237.00
IUPAC Name6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESNc1nnc2c(C(F)(F)F)cc(Cl)nn12
InChIInChI=1S/C6H3ClF3N5/c7-3-1-2(6(8,9)10)4-12-13-5(11)15(4)14-3/h1H,(H2,11,13)
InChIKeyYYQWCLPLINGDNQ-UHFFFAOYSA-N
XLogP1.38
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.57
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of 6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 58045773) is 6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for 6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is Nc1nnc2c(C(F)(F)F)cc(Cl)nn12.
What is the InChIKey of 6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is YYQWCLPLINGDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3N5/c7-3-1-2(6(8,9)10)4-12-13-5(11)15(4)14-3/h1H,(H2,11,13).
What are the key properties of 6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 237.57 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 58045773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).