methanesulfonic acid;pyridazin-3-amine

C5H9N3O3S — CID 174747797

IUPACmethanesulfonic acid;pyridazin-3-amine
SMILESCS(=O)(=O)O.Nc1cccnn1
InChIInChI=1S/C4H5N3.CH4O3S/c5-4-2-1-3-6-7-4;1-5(2,3)4/h1-3H,(H2,5,7);1H3,(H,2,3,4)
InChIKeyRVYDYOFIKHXXOD-UHFFFAOYSA-N
MW191.21 g/mol
LogP-0.44
Rot. Bonds

About methanesulfonic acid;pyridazin-3-amine

methanesulfonic acid;pyridazin-3-amine (PubChem CID 174747797) has the molecular formula C5H9N3O3S and a molecular weight of 191.21 g/mol. Its IUPAC name is methanesulfonic acid;pyridazin-3-amine.

Molecular Properties

Compound Namemethanesulfonic acid;pyridazin-3-amine
PubChem CID174747797
Molecular FormulaC5H9N3O3S
Molecular Weight191.21 g/mol
Exact Mass191.04
IUPAC Namemethanesulfonic acid;pyridazin-3-amine
SMILESCS(=O)(=O)O.Nc1cccnn1
InChIInChI=1S/C4H5N3.CH4O3S/c5-4-2-1-3-6-7-4;1-5(2,3)4/h1-3H,(H2,5,7);1H3,(H,2,3,4)
InChIKeyRVYDYOFIKHXXOD-UHFFFAOYSA-N
XLogP-0.44
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;pyridazin-3-amine?
The IUPAC name of methanesulfonic acid;pyridazin-3-amine (CID 174747797) is methanesulfonic acid;pyridazin-3-amine.
What is the SMILES notation for methanesulfonic acid;pyridazin-3-amine?
The canonical SMILES for methanesulfonic acid;pyridazin-3-amine is CS(=O)(=O)O.Nc1cccnn1.
What is the InChIKey of methanesulfonic acid;pyridazin-3-amine?
The InChIKey is RVYDYOFIKHXXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3.CH4O3S/c5-4-2-1-3-6-7-4;1-5(2,3)4/h1-3H,(H2,5,7);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;pyridazin-3-amine?
methanesulfonic acid;pyridazin-3-amine has a molecular weight of 191.21 g/mol, XLogP of -0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;pyridazin-3-amine is sourced from PubChem (CID 174747797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).