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

C15H12ClF2N5O — CID 146301974

IUPAC3-chloro-6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C15H12ClF2N5O/c1-9-12(8-24-14-7-6-13(16)20-21-14)23(22-19-9)11-4-2-10(3-5-11)15(17)18/h2-7,15H,8H2,1H3
InChIKeyLZUUUJYQEWUNAK-UHFFFAOYSA-N
MW351.74 g/mol
LogP3.54
Rot. Bonds5

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

3-chloro-6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine (PubChem CID 146301974) has the molecular formula C15H12ClF2N5O and a molecular weight of 351.74 g/mol. Its IUPAC name is 3-chloro-6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine
PubChem CID146301974
Molecular FormulaC15H12ClF2N5O
Molecular Weight351.74 g/mol
Exact Mass351.07
IUPAC Name3-chloro-6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C15H12ClF2N5O/c1-9-12(8-24-14-7-6-13(16)20-21-14)23(22-19-9)11-4-2-10(3-5-11)15(17)18/h2-7,15H,8H2,1H3
InChIKeyLZUUUJYQEWUNAK-UHFFFAOYSA-N
XLogP3.54
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US10071988, Example 112
CID 130309469
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
(Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine
CID 146311181
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
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-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine?
The IUPAC name of 3-chloro-6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine (CID 146301974) is 3-chloro-6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine.
What is the SMILES notation for 3-chloro-6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine?
The canonical SMILES for 3-chloro-6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine is Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine?
The InChIKey is LZUUUJYQEWUNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N5O/c1-9-12(8-24-14-7-6-13(16)20-21-14)23(22-19-9)11-4-2-10(3-5-11)15(17)18/h2-7,15H,8H2,1H3.
What are the key properties of 3-chloro-6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine?
3-chloro-6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine has a molecular weight of 351.74 g/mol, XLogP of 3.54, 5 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-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine is sourced from PubChem (CID 146301974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).