3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine

C14H11ClFN5O — CID 86664763

IUPAC3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine
SMILESCn1nnc(-c2ccc(F)cc2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C14H11ClFN5O/c1-21-11(8-22-13-7-6-12(15)17-18-13)14(19-20-21)9-2-4-10(16)5-3-9/h2-7H,8H2,1H3
InChIKeyZDOSIFGUWJHNKU-UHFFFAOYSA-N
MW319.73 g/mol
LogP2.64
Rot. Bonds4

About 3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine

3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine (PubChem CID 86664763) has the molecular formula C14H11ClFN5O and a molecular weight of 319.73 g/mol. Its IUPAC name is 3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine
PubChem CID86664763
Molecular FormulaC14H11ClFN5O
Molecular Weight319.73 g/mol
Exact Mass319.06
IUPAC Name3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine
SMILESCn1nnc(-c2ccc(F)cc2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C14H11ClFN5O/c1-21-11(8-22-13-7-6-12(15)17-18-13)14(19-20-21)9-2-4-10(16)5-3-9/h2-7H,8H2,1H3
InChIKeyZDOSIFGUWJHNKU-UHFFFAOYSA-N
XLogP2.64
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.73
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US11312688, Example 475
CID 56601949
US11312688, Example 474
CID 56602157
US10183913, Example 475
CID 66665108
3-Chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine
CID 57335254
3-Chloro-6-[3-(4-fluoro-phenyl)-5-methyl-3H-[1,2,3]triazol-4-ylmethoxy]-pyridazine
CID 57335698
1-[2-(4-Chloro-2-fluorophenoxy)ethyl]-5-ethoxy-3-phenylpyrazole
CID 69835794
[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] N-propan-2-ylcarbamate
CID 90449908
Ethyl [6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] carbonate
CID 90449930
3-[[5-(4-Fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine
CID 141330167
3-Chloro-6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine
CID 146301974
3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[(2E,4Z)-octa-2,4,7-trien-2-yl]pyridazine
CID 162723318
3-Chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine
CID 162723335

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine?
The IUPAC name of 3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine (CID 86664763) is 3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine.
What is the SMILES notation for 3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine?
The canonical SMILES for 3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine is Cn1nnc(-c2ccc(F)cc2)c1COc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine?
The InChIKey is ZDOSIFGUWJHNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5O/c1-21-11(8-22-13-7-6-12(15)17-18-13)14(19-20-21)9-2-4-10(16)5-3-9/h2-7H,8H2,1H3.
What are the key properties of 3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine?
3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine has a molecular weight of 319.73 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine is sourced from PubChem (CID 86664763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).