4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine

C7H7F3N2O — CID 139386384

IUPAC4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine
SMILESCOc1cc(C(F)(F)F)nnc1C
InChIInChI=1S/C7H7F3N2O/c1-4-5(13-2)3-6(12-11-4)7(8,9)10/h3H,1-2H3
InChIKeyCNFDRICFEYEQTL-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.81
Rot. Bonds1

About 4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine

4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine (PubChem CID 139386384) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine
PubChem CID139386384
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine
SMILESCOc1cc(C(F)(F)F)nnc1C
InChIInChI=1S/C7H7F3N2O/c1-4-5(13-2)3-6(12-11-4)7(8,9)10/h3H,1-2H3
InChIKeyCNFDRICFEYEQTL-UHFFFAOYSA-N
XLogP1.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Pyridazinamine, 4-methoxy-6-methyl-
CID 210505
3-Bromo-4-methoxy-6-trifluoromethyl-pyridazine
CID 59233382
3-Methoxy-6-(trifluoromethyl)pyridazine
CID 66486927
3-(Difluoromethyl)-6-methoxypyridazine
CID 86715320
3-(1,1-Difluoroethyl)-6-methoxypyridazine
CID 86715325
4-Methoxy-6-(trifluoromethyl)pyridazin-3-amine
CID 117696173
3-Methyl-6-(trifluoromethoxy)pyridazine
CID 118919678
3-(Difluoromethoxy)-6-methylpyridazine
CID 118919679
3-(Fluoromethoxy)-6-methylpyridazine
CID 118919680
3-Methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine
CID 123466446
[6-(Trifluoromethyl)pyridazin-4-yl] formate
CID 135195996
3-Cyclohepta-1,4,6-trien-1-yl-6-(difluoromethyl)-4-methoxypyridazine
CID 139386377

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine?
The IUPAC name of 4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine (CID 139386384) is 4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine is COc1cc(C(F)(F)F)nnc1C.
What is the InChIKey of 4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine?
The InChIKey is CNFDRICFEYEQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-4-5(13-2)3-6(12-11-4)7(8,9)10/h3H,1-2H3.
What are the key properties of 4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine?
4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine has a molecular weight of 192.14 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 139386384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).