3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine

C4H9N5O3S — CID 114810247

IUPAC3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCNS(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C4H9N5O3S/c1-5-13(10,11)9-3-6-4(12-2)8-7-3/h5H,1-2H3,(H2,6,7,8,9)
InChIKeyUFYMWAHMTMAGIQ-UHFFFAOYSA-N
MW207.21 g/mol
LogP-1.31
Rot. Bonds4

About 3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine

3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine (PubChem CID 114810247) has the molecular formula C4H9N5O3S and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine
PubChem CID114810247
Molecular FormulaC4H9N5O3S
Molecular Weight207.21 g/mol
Exact Mass207.04
IUPAC Name3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCNS(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C4H9N5O3S/c1-5-13(10,11)9-3-6-4(12-2)8-7-3/h5H,1-2H3,(H2,6,7,8,9)
InChIKeyUFYMWAHMTMAGIQ-UHFFFAOYSA-N
XLogP-1.31
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine (CID 114810247) is 3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine is CNS(=O)(=O)Nc1nc(OC)n[nH]1.
What is the InChIKey of 3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is UFYMWAHMTMAGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5O3S/c1-5-13(10,11)9-3-6-4(12-2)8-7-3/h5H,1-2H3,(H2,6,7,8,9).
What are the key properties of 3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine?
3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 207.21 g/mol, XLogP of -1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 114810247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).