3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine

C14H9ClF3N5O — CID 130309488

IUPAC3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(OCc2cn(-c3ccc(Cl)cc3)nn2)nn1
InChIInChI=1S/C14H9ClF3N5O/c15-9-1-3-11(4-2-9)23-7-10(19-22-23)8-24-13-6-5-12(20-21-13)14(16,17)18/h1-7H,8H2
InChIKeyCSKPTVSQODIFKA-UHFFFAOYSA-N
MW355.71 g/mol
LogP3.31
Rot. Bonds4

About 3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine

3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine (PubChem CID 130309488) has the molecular formula C14H9ClF3N5O and a molecular weight of 355.71 g/mol. Its IUPAC name is 3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine
PubChem CID130309488
Molecular FormulaC14H9ClF3N5O
Molecular Weight355.71 g/mol
Exact Mass355.04
IUPAC Name3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(OCc2cn(-c3ccc(Cl)cc3)nn2)nn1
InChIInChI=1S/C14H9ClF3N5O/c15-9-1-3-11(4-2-9)23-7-10(19-22-23)8-24-13-6-5-12(20-21-13)14(16,17)18/h1-7H,8H2
InChIKeyCSKPTVSQODIFKA-UHFFFAOYSA-N
XLogP3.31
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.71
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine (CID 130309488) is 3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine is FC(F)(F)c1ccc(OCc2cn(-c3ccc(Cl)cc3)nn2)nn1.
What is the InChIKey of 3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine?
The InChIKey is CSKPTVSQODIFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N5O/c15-9-1-3-11(4-2-9)23-7-10(19-22-23)8-24-13-6-5-12(20-21-13)14(16,17)18/h1-7H,8H2.
What are the key properties of 3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine?
3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine has a molecular weight of 355.71 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 130309488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).