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

C6H13N5O3S — CID 114810244

IUPAC3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCCCNS(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C6H13N5O3S/c1-3-4-7-15(12,13)11-5-8-6(14-2)10-9-5/h7H,3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyCHYOENWPXSQRPF-UHFFFAOYSA-N
MW235.27 g/mol
LogP-0.53
Rot. Bonds6

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

3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine (PubChem CID 114810244) has the molecular formula C6H13N5O3S and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine
PubChem CID114810244
Molecular FormulaC6H13N5O3S
Molecular Weight235.27 g/mol
Exact Mass235.07
IUPAC Name3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCCCNS(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C6H13N5O3S/c1-3-4-7-15(12,13)11-5-8-6(14-2)10-9-5/h7H,3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyCHYOENWPXSQRPF-UHFFFAOYSA-N
XLogP-0.53
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine (CID 114810244) is 3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine is CCCNS(=O)(=O)Nc1nc(OC)n[nH]1.
What is the InChIKey of 3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is CHYOENWPXSQRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O3S/c1-3-4-7-15(12,13)11-5-8-6(14-2)10-9-5/h7H,3-4H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine?
3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 235.27 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 114810244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).