1-methylsulfinylindazol-6-amine

C8H9N3OS — CID 131219244

IUPAC1-methylsulfinylindazol-6-amine
SMILESCS(=O)n1ncc2ccc(N)cc21
InChIInChI=1S/C8H9N3OS/c1-13(12)11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,9H2,1H3
InChIKeyHSTDVNNNCMCYRI-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.76
Rot. Bonds1

About 1-methylsulfinylindazol-6-amine

1-methylsulfinylindazol-6-amine (PubChem CID 131219244) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-methylsulfinylindazol-6-amine.

Molecular Properties

Compound Name1-methylsulfinylindazol-6-amine
PubChem CID131219244
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name1-methylsulfinylindazol-6-amine
SMILESCS(=O)n1ncc2ccc(N)cc21
InChIInChI=1S/C8H9N3OS/c1-13(12)11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,9H2,1H3
InChIKeyHSTDVNNNCMCYRI-UHFFFAOYSA-N
XLogP0.76
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinylindazol-6-amine?
The IUPAC name of 1-methylsulfinylindazol-6-amine (CID 131219244) is 1-methylsulfinylindazol-6-amine.
What is the SMILES notation for 1-methylsulfinylindazol-6-amine?
The canonical SMILES for 1-methylsulfinylindazol-6-amine is CS(=O)n1ncc2ccc(N)cc21.
What is the InChIKey of 1-methylsulfinylindazol-6-amine?
The InChIKey is HSTDVNNNCMCYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-13(12)11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,9H2,1H3.
What are the key properties of 1-methylsulfinylindazol-6-amine?
1-methylsulfinylindazol-6-amine has a molecular weight of 195.25 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinylindazol-6-amine is sourced from PubChem (CID 131219244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).