3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine

C19H14F5N7O — CID 146311114

IUPAC3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(-n2cc(C(F)(F)F)cn2)nn1
InChIInChI=1S/C19H14F5N7O/c1-11-15(31(29-26-11)14-4-2-12(3-5-14)18(20)21)10-32-17-7-6-16(27-28-17)30-9-13(8-25-30)19(22,23)24/h2-9,18H,10H2,1H3
InChIKeyBBDZUDRCNGHJBP-UHFFFAOYSA-N
MW451.36 g/mol
LogP4.09
Rot. Bonds6

About 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine

3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine (PubChem CID 146311114) has the molecular formula C19H14F5N7O and a molecular weight of 451.36 g/mol. Its IUPAC name is 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine
PubChem CID146311114
Molecular FormulaC19H14F5N7O
Molecular Weight451.36 g/mol
Exact Mass451.12
IUPAC Name3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(-n2cc(C(F)(F)F)cn2)nn1
InChIInChI=1S/C19H14F5N7O/c1-11-15(31(29-26-11)14-4-2-12(3-5-14)18(20)21)10-32-17-7-6-16(27-28-17)30-9-13(8-25-30)19(22,23)24/h2-9,18H,10H2,1H3
InChIKeyBBDZUDRCNGHJBP-UHFFFAOYSA-N
XLogP4.09
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine?
The IUPAC name of 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine (CID 146311114) is 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine?
The canonical SMILES for 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine is Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(-n2cc(C(F)(F)F)cn2)nn1.
What is the InChIKey of 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine?
The InChIKey is BBDZUDRCNGHJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N7O/c1-11-15(31(29-26-11)14-4-2-12(3-5-14)18(20)21)10-32-17-7-6-16(27-28-17)30-9-13(8-25-30)19(22,23)24/h2-9,18H,10H2,1H3.
What are the key properties of 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine?
3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine has a molecular weight of 451.36 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine is sourced from PubChem (CID 146311114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).