3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine

C12H13N3O2S — CID 158368423

IUPAC3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine
SMILESCCOSOc1cccnc1-c1ccc(C)nn1
InChIInChI=1S/C12H13N3O2S/c1-3-16-18-17-11-5-4-8-13-12(11)10-7-6-9(2)14-15-10/h4-8H,3H2,1-2H3
InChIKeyGUHSFQADEZKQET-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.83
Rot. Bonds5

About 3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine

3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine (PubChem CID 158368423) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine.

Molecular Properties

Compound Name3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine
PubChem CID158368423
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine
SMILESCCOSOc1cccnc1-c1ccc(C)nn1
InChIInChI=1S/C12H13N3O2S/c1-3-16-18-17-11-5-4-8-13-12(11)10-7-6-9(2)14-15-10/h4-8H,3H2,1-2H3
InChIKeyGUHSFQADEZKQET-UHFFFAOYSA-N
XLogP2.83
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine 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

3-ethoxy-2-fluoropyridine
CID 11355527
2-ethoxy-3-(trifluoromethylsulfanyl)pyridine
CID 133057907
3-(2,2-difluoroethoxy)-2-methylpyridine
CID 131160464
3-ethoxy-2-[(6-methyl-3-pyridinyl)methoxy]pyridine
CID 154502241
ethane;3-ethoxy-2-fluoropyridine
CID 144753234
3-chloro-6-(2-ethoxy-3-pyridinyl)pyridazine
CID 156502502
CID 22412853
CID 22412853
[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]methanamine
CID 103174319
ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
CID 24705692
3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine
CID 121497129
2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine
CID 174623320
6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one
CID 161271896

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine?
The IUPAC name of 3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine (CID 158368423) is 3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine.
What is the SMILES notation for 3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine?
The canonical SMILES for 3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine is CCOSOc1cccnc1-c1ccc(C)nn1.
What is the InChIKey of 3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine?
The InChIKey is GUHSFQADEZKQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-3-16-18-17-11-5-4-8-13-12(11)10-7-6-9(2)14-15-10/h4-8H,3H2,1-2H3.
What are the key properties of 3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine?
3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine has a molecular weight of 263.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine is sourced from PubChem (CID 158368423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).