[6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine

C12H14N4O2S — CID 58118988

IUPAC[6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine
SMILESCS(=O)(=O)Cc1ccc(-c2ccc(NN)nn2)cc1
InChIInChI=1S/C12H14N4O2S/c1-19(17,18)8-9-2-4-10(5-3-9)11-6-7-12(14-13)16-15-11/h2-7H,8,13H2,1H3,(H,14,16)
InChIKeyCPWVHAPZSFKUJW-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.97
Rot. Bonds4

About [6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine

[6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine (PubChem CID 58118988) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is [6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine.

Molecular Properties

Compound Name[6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine
PubChem CID58118988
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name[6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine
SMILESCS(=O)(=O)Cc1ccc(-c2ccc(NN)nn2)cc1
InChIInChI=1S/C12H14N4O2S/c1-19(17,18)8-9-2-4-10(5-3-9)11-6-7-12(14-13)16-15-11/h2-7H,8,13H2,1H3,(H,14,16)
InChIKeyCPWVHAPZSFKUJW-UHFFFAOYSA-N
XLogP0.97
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine?
The IUPAC name of [6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine (CID 58118988) is [6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine.
What is the SMILES notation for [6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine?
The canonical SMILES for [6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine is CS(=O)(=O)Cc1ccc(-c2ccc(NN)nn2)cc1.
What is the InChIKey of [6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine?
The InChIKey is CPWVHAPZSFKUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-19(17,18)8-9-2-4-10(5-3-9)11-6-7-12(14-13)16-15-11/h2-7H,8,13H2,1H3,(H,14,16).
What are the key properties of [6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine?
[6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine has a molecular weight of 278.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine is sourced from PubChem (CID 58118988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).