3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine

C14H10F3N5O — CID 141384442

IUPAC3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine
SMILESFc1ccc(-n2nnc(C(F)F)c2COc2cccnn2)cc1
InChIInChI=1S/C14H10F3N5O/c15-9-3-5-10(6-4-9)22-11(13(14(16)17)20-21-22)8-23-12-2-1-7-18-19-12/h1-7,14H,8H2
InChIKeyYOBWQHJVPZTNBZ-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.71
Rot. Bonds5

About 3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine

3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine (PubChem CID 141384442) has the molecular formula C14H10F3N5O and a molecular weight of 321.26 g/mol. Its IUPAC name is 3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine
PubChem CID141384442
Molecular FormulaC14H10F3N5O
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC Name3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine
SMILESFc1ccc(-n2nnc(C(F)F)c2COc2cccnn2)cc1
InChIInChI=1S/C14H10F3N5O/c15-9-3-5-10(6-4-9)22-11(13(14(16)17)20-21-22)8-23-12-2-1-7-18-19-12/h1-7,14H,8H2
InChIKeyYOBWQHJVPZTNBZ-UHFFFAOYSA-N
XLogP2.71
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine?
The IUPAC name of 3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine (CID 141384442) is 3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine.
What is the SMILES notation for 3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine?
The canonical SMILES for 3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine is Fc1ccc(-n2nnc(C(F)F)c2COc2cccnn2)cc1.
What is the InChIKey of 3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine?
The InChIKey is YOBWQHJVPZTNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O/c15-9-3-5-10(6-4-9)22-11(13(14(16)17)20-21-22)8-23-12-2-1-7-18-19-12/h1-7,14H,8H2.
What are the key properties of 3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine?
3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine has a molecular weight of 321.26 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methoxy]pyridazine is sourced from PubChem (CID 141384442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).