3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine

C12H10FN5O2S — CID 70981264

IUPAC3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine
SMILESCS(=O)(=O)c1ccc(-c2ccc(CN=[N+]=[N-])nn2)c(F)c1
InChIInChI=1S/C12H10FN5O2S/c1-21(19,20)9-3-4-10(11(13)6-9)12-5-2-8(16-17-12)7-15-18-14/h2-6H,7H2,1H3
InChIKeyXEPLFKWZEIAWOW-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.50
Rot. Bonds4

About 3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine

3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine (PubChem CID 70981264) has the molecular formula C12H10FN5O2S and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine.

Molecular Properties

Compound Name3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine
PubChem CID70981264
Molecular FormulaC12H10FN5O2S
Molecular Weight307.31 g/mol
Exact Mass307.05
IUPAC Name3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine
SMILESCS(=O)(=O)c1ccc(-c2ccc(CN=[N+]=[N-])nn2)c(F)c1
InChIInChI=1S/C12H10FN5O2S/c1-21(19,20)9-3-4-10(11(13)6-9)12-5-2-8(16-17-12)7-15-18-14/h2-6H,7H2,1H3
InChIKeyXEPLFKWZEIAWOW-UHFFFAOYSA-N
XLogP2.50
TPSA108.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)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-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine?
The IUPAC name of 3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine (CID 70981264) is 3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine.
What is the SMILES notation for 3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine?
The canonical SMILES for 3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine is CS(=O)(=O)c1ccc(-c2ccc(CN=[N+]=[N-])nn2)c(F)c1.
What is the InChIKey of 3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine?
The InChIKey is XEPLFKWZEIAWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O2S/c1-21(19,20)9-3-4-10(11(13)6-9)12-5-2-8(16-17-12)7-15-18-14/h2-6H,7H2,1H3.
What are the key properties of 3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine?
3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine has a molecular weight of 307.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-6-(2-fluoro-4-methylsulfonylphenyl)pyridazine is sourced from PubChem (CID 70981264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).