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

C14H11ClFN5O — CID 57335698

IUPAC3-chloro-6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C14H11ClFN5O/c1-9-12(8-22-14-7-6-13(15)18-19-14)21(20-17-9)11-4-2-10(16)3-5-11/h2-7H,8H2,1H3
InChIKeyPDNHLYLDNZYEPQ-UHFFFAOYSA-N
MW319.73 g/mol
LogP2.74
Rot. Bonds4

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

3-chloro-6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine (PubChem CID 57335698) has the molecular formula C14H11ClFN5O and a molecular weight of 319.73 g/mol. Its IUPAC name is 3-chloro-6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine
PubChem CID57335698
Molecular FormulaC14H11ClFN5O
Molecular Weight319.73 g/mol
Exact Mass319.06
IUPAC Name3-chloro-6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C14H11ClFN5O/c1-9-12(8-22-14-7-6-13(15)18-19-14)21(20-17-9)11-4-2-10(16)3-5-11/h2-7H,8H2,1H3
InChIKeyPDNHLYLDNZYEPQ-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine
CID 57335254
3-chloro-6-[5-(4-fluoro-phenyl)-3-methyl-3H-[1,2,3]triazol-4-ylmethoxy]-pyridazine
CID 86664763
Ethyl [6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl] carbonate
CID 90450623
3-[[1-(4-Chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine
CID 130309488
3-[[5-(Difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine
CID 141384442
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-iodopyridazine
CID 156383484
Carbonyl difluoride;3-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine
CID 160212216
3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[(2E,4Z)-octa-2,4,7-trien-2-yl]pyridazine
CID 162723318
6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N'-(oxan-4-yl)pyridazine-3-carboximidamide
CID 163752942
3-Fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine
CID 167438741
[5-[(6-Chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane
CID 167438793

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine?
The IUPAC name of 3-chloro-6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine (CID 57335698) is 3-chloro-6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine.
What is the SMILES notation for 3-chloro-6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine?
The canonical SMILES for 3-chloro-6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine is Cc1nnn(-c2ccc(F)cc2)c1COc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine?
The InChIKey is PDNHLYLDNZYEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5O/c1-9-12(8-22-14-7-6-13(15)18-19-14)21(20-17-9)11-4-2-10(16)3-5-11/h2-7H,8H2,1H3.
What are the key properties of 3-chloro-6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine?
3-chloro-6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine has a molecular weight of 319.73 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine is sourced from PubChem (CID 57335698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).