3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine

C16H14F2N4O2 — CID 133424790

IUPAC3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC/C=C/c1ccc(Oc2ccc3nnc(C(F)F)n3n2)c(OC)c1
InChIInChI=1S/C16H14F2N4O2/c1-3-4-10-5-6-11(12(9-10)23-2)24-14-8-7-13-19-20-16(15(17)18)22(13)21-14/h3-9,15H,1-2H3/b4-3+
InChIKeyLDOYBDZTPMHHRV-ONEGZZNKSA-N
MW332.31 g/mol
LogP3.90
Rot. Bonds5

About 3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine

3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133424790) has the molecular formula C16H14F2N4O2 and a molecular weight of 332.31 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133424790
Molecular FormulaC16H14F2N4O2
Molecular Weight332.31 g/mol
Exact Mass332.11
IUPAC Name3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC/C=C/c1ccc(Oc2ccc3nnc(C(F)F)n3n2)c(OC)c1
InChIInChI=1S/C16H14F2N4O2/c1-3-4-10-5-6-11(12(9-10)23-2)24-14-8-7-13-19-20-16(15(17)18)22(13)21-14/h3-9,15H,1-2H3/b4-3+
InChIKeyLDOYBDZTPMHHRV-ONEGZZNKSA-N
XLogP3.90
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (E)-3-[3-methoxy-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]prop-2-enoate
CID 24651571
1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol
CID 164608626
1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole
CID 2199762
1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole
CID 2232290
1,2-dimethoxy-4-penta-1,3-dienylbenzene
CID 141114401
[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-trimethylstannane
CID 10806085
2-fluoro-1-methoxy-4-[(Z)-prop-1-enyl]benzene
CID 89214700
[(2S)-butan-2-yl]-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
CID 2184410
3-(difluoromethyl)-6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133365890
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]butan-2-amine
CID 20833711
1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2292081

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine (CID 133424790) is 3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine is C/C=C/c1ccc(Oc2ccc3nnc(C(F)F)n3n2)c(OC)c1.
What is the InChIKey of 3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LDOYBDZTPMHHRV-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H14F2N4O2/c1-3-4-10-5-6-11(12(9-10)23-2)24-14-8-7-13-19-20-16(15(17)18)22(13)21-14/h3-9,15H,1-2H3/b4-3+.
What are the key properties of 3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 332.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133424790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).