3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine

C14H9Cl2F2N5O — CID 167438798

IUPAC3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine
SMILESFC(F)c1ccc(-n2nnc(Cl)c2COc2ccc(Cl)nn2)cc1
InChIInChI=1S/C14H9Cl2F2N5O/c15-11-5-6-12(20-19-11)24-7-10-13(16)21-22-23(10)9-3-1-8(2-4-9)14(17)18/h1-6,14H,7H2
InChIKeyUHWQPKVSHBVHAE-UHFFFAOYSA-N
MW372.16 g/mol
LogP3.88
Rot. Bonds5

About 3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine

3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine (PubChem CID 167438798) has the molecular formula C14H9Cl2F2N5O and a molecular weight of 372.16 g/mol. Its IUPAC name is 3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine
PubChem CID167438798
Molecular FormulaC14H9Cl2F2N5O
Molecular Weight372.16 g/mol
Exact Mass371.02
IUPAC Name3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine
SMILESFC(F)c1ccc(-n2nnc(Cl)c2COc2ccc(Cl)nn2)cc1
InChIInChI=1S/C14H9Cl2F2N5O/c15-11-5-6-12(20-19-11)24-7-10-13(16)21-22-23(10)9-3-1-8(2-4-9)14(17)18/h1-6,14H,7H2
InChIKeyUHWQPKVSHBVHAE-UHFFFAOYSA-N
XLogP3.88
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US10071988, Example 112
CID 130309469
US10071988, Example 428
CID 130309713
US20250136581, Example 90
CID 167439016
3-Chloro-6-[3-(4-fluoro-phenyl)-5-methyl-3H-[1,2,3]triazol-4-ylmethoxy]-pyridazine
CID 57335698
6-[3-(2,6-dichloro-phenyl)-5-isopropyl-3H-[1,2,3]triazol-4-ylmethoxy]-2-trifluoromethyl-pyridin-3-ylamine
CID 67286530
3-chloro-6-[5-(4-fluoro-phenyl)-3-methyl-3H-[1,2,3]triazol-4-ylmethoxy]-pyridazine
CID 86664763
3-[[1-(4-Chlorophenyl)triazol-4-yl]methoxy]-6-(trifluoromethyl)pyridazine
CID 130309488
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
3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine
CID 159674099
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine?
The IUPAC name of 3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine (CID 167438798) is 3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine.
What is the SMILES notation for 3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine?
The canonical SMILES for 3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine is FC(F)c1ccc(-n2nnc(Cl)c2COc2ccc(Cl)nn2)cc1.
What is the InChIKey of 3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine?
The InChIKey is UHWQPKVSHBVHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2N5O/c15-11-5-6-12(20-19-11)24-7-10-13(16)21-22-23(10)9-3-1-8(2-4-9)14(17)18/h1-6,14H,7H2.
What are the key properties of 3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine?
3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine has a molecular weight of 372.16 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[5-chloro-3-[4-(difluoromethyl)phenyl]triazol-4-yl]methoxy]pyridazine is sourced from PubChem (CID 167438798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).