6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine

C11H6F3N5O — CID 16582314

IUPAC6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine
SMILESFC(F)(F)c1cccc(Oc2ccc3nnnn3n2)c1
InChIInChI=1S/C11H6F3N5O/c12-11(13,14)7-2-1-3-8(6-7)20-10-5-4-9-15-17-18-19(9)16-10/h1-6H
InChIKeyICQIEABKHSWWLX-UHFFFAOYSA-N
MW281.20 g/mol
LogP2.33
Rot. Bonds2

About 6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine

6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine (PubChem CID 16582314) has the molecular formula C11H6F3N5O and a molecular weight of 281.20 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine
PubChem CID16582314
Molecular FormulaC11H6F3N5O
Molecular Weight281.20 g/mol
Exact Mass281.05
IUPAC Name6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine
SMILESFC(F)(F)c1cccc(Oc2ccc3nnnn3n2)c1
InChIInChI=1S/C11H6F3N5O/c12-11(13,14)7-2-1-3-8(6-7)20-10-5-4-9-15-17-18-19(9)16-10/h1-6H
InChIKeyICQIEABKHSWWLX-UHFFFAOYSA-N
XLogP2.33
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-6-[3-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 2727439
6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine
CID 56793666
6-[3-(trifluoromethyl)phenoxy]pyridazin-3-amine
CID 14294275
4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline
CID 78984474
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine
CID 17452054
N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47983075
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
2-methoxy-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 43262396
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 57386062
4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine (CID 16582314) is 6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine is FC(F)(F)c1cccc(Oc2ccc3nnnn3n2)c1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine?
The InChIKey is ICQIEABKHSWWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5O/c12-11(13,14)7-2-1-3-8(6-7)20-10-5-4-9-15-17-18-19(9)16-10/h1-6H.
What are the key properties of 6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine?
6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine has a molecular weight of 281.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 16582314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).