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

C13H7F6N5O — CID 134543895

IUPAC6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESNc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(F)(F)F)nnc12
InChIInChI=1S/C13H7F6N5O/c14-12(15,16)11-22-21-10-8(20)5-9(23-24(10)11)6-1-3-7(4-2-6)25-13(17,18)19/h1-5H,20H2
InChIKeyFHRYSMHXZXOKKK-UHFFFAOYSA-N
MW363.22 g/mol
LogP3.29
Rot. Bonds2

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

6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 134543895) has the molecular formula C13H7F6N5O and a molecular weight of 363.22 g/mol. Its IUPAC name is 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID134543895
Molecular FormulaC13H7F6N5O
Molecular Weight363.22 g/mol
Exact Mass363.06
IUPAC Name6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESNc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(F)(F)F)nnc12
InChIInChI=1S/C13H7F6N5O/c14-12(15,16)11-22-21-10-8(20)5-9(23-24(10)11)6-1-3-7(4-2-6)25-13(17,18)19/h1-5H,20H2
InChIKeyFHRYSMHXZXOKKK-UHFFFAOYSA-N
XLogP3.29
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine with MolForge

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Related Compounds

6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide
CID 134555509
8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555655
2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide
CID 159160771
6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 157123963
2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol
CID 116628785
5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine
CID 170265880
2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]acetic acid
CID 166086691
3-(1,1-difluoroprop-2-enyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine
CID 134555661
4-(trifluoromethoxy)-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
CID 134555520
3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 66849312
3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 66849121
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 134543895) is 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(F)(F)F)nnc12.
What is the InChIKey of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is FHRYSMHXZXOKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6N5O/c14-12(15,16)11-22-21-10-8(20)5-9(23-24(10)11)6-1-3-7(4-2-6)25-13(17,18)19/h1-5H,20H2.
What are the key properties of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 363.22 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 134543895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).