3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine

C14H16N2O2S — CID 119051758

IUPAC3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine
SMILESCOCc1ccc(SCc2ccc(OC)nn2)cc1
InChIInChI=1S/C14H16N2O2S/c1-17-9-11-3-6-13(7-4-11)19-10-12-5-8-14(18-2)16-15-12/h3-8H,9-10H2,1-2H3
InChIKeyZSFVXHXWJMRSMO-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.92
Rot. Bonds6

About 3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine

3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine (PubChem CID 119051758) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine.

Molecular Properties

Compound Name3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine
PubChem CID119051758
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine
SMILESCOCc1ccc(SCc2ccc(OC)nn2)cc1
InChIInChI=1S/C14H16N2O2S/c1-17-9-11-3-6-13(7-4-11)19-10-12-5-8-14(18-2)16-15-12/h3-8H,9-10H2,1-2H3
InChIKeyZSFVXHXWJMRSMO-UHFFFAOYSA-N
XLogP2.92
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine?
The IUPAC name of 3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine (CID 119051758) is 3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine.
What is the SMILES notation for 3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine?
The canonical SMILES for 3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine is COCc1ccc(SCc2ccc(OC)nn2)cc1.
What is the InChIKey of 3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine?
The InChIKey is ZSFVXHXWJMRSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-17-9-11-3-6-13(7-4-11)19-10-12-5-8-14(18-2)16-15-12/h3-8H,9-10H2,1-2H3.
What are the key properties of 3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine?
3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine has a molecular weight of 276.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine is sourced from PubChem (CID 119051758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).