methanesulfonate;pyridazin-1-ium-1-amine

C5H9N3O3S — CID 135052256

IUPACmethanesulfonate;pyridazin-1-ium-1-amine
SMILESCS(=O)(=O)[O-].N[n+]1ccccn1
InChIInChI=1S/C4H6N3.CH4O3S/c5-7-4-2-1-3-6-7;1-5(2,3)4/h1-4H,(H2,5,6);1H3,(H,2,3,4)/q+1;/p-1
InChIKeyRUPSJJWIPSTFSO-UHFFFAOYSA-M
MW191.21 g/mol
LogP-1.76
Rot. Bonds

About methanesulfonate;pyridazin-1-ium-1-amine

methanesulfonate;pyridazin-1-ium-1-amine (PubChem CID 135052256) has the molecular formula C5H9N3O3S and a molecular weight of 191.21 g/mol. Its IUPAC name is methanesulfonate;pyridazin-1-ium-1-amine.

Molecular Properties

Compound Namemethanesulfonate;pyridazin-1-ium-1-amine
PubChem CID135052256
Molecular FormulaC5H9N3O3S
Molecular Weight191.21 g/mol
Exact Mass191.04
IUPAC Namemethanesulfonate;pyridazin-1-ium-1-amine
SMILESCS(=O)(=O)[O-].N[n+]1ccccn1
InChIInChI=1S/C4H6N3.CH4O3S/c5-7-4-2-1-3-6-7;1-5(2,3)4/h1-4H,(H2,5,6);1H3,(H,2,3,4)/q+1;/p-1
InChIKeyRUPSJJWIPSTFSO-UHFFFAOYSA-M
XLogP-1.76
TPSA99.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 5-1.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanesulfonate;pyridazin-1-ium-1-amine?
The IUPAC name of methanesulfonate;pyridazin-1-ium-1-amine (CID 135052256) is methanesulfonate;pyridazin-1-ium-1-amine.
What is the SMILES notation for methanesulfonate;pyridazin-1-ium-1-amine?
The canonical SMILES for methanesulfonate;pyridazin-1-ium-1-amine is CS(=O)(=O)[O-].N[n+]1ccccn1.
What is the InChIKey of methanesulfonate;pyridazin-1-ium-1-amine?
The InChIKey is RUPSJJWIPSTFSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6N3.CH4O3S/c5-7-4-2-1-3-6-7;1-5(2,3)4/h1-4H,(H2,5,6);1H3,(H,2,3,4)/q+1;/p-1.
What are the key properties of methanesulfonate;pyridazin-1-ium-1-amine?
methanesulfonate;pyridazin-1-ium-1-amine has a molecular weight of 191.21 g/mol, XLogP of -1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;pyridazin-1-ium-1-amine is sourced from PubChem (CID 135052256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).