5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole

C7H15N5O2S — CID 62945495

IUPAC5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole
SMILESCCCCN(C)S(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H15N5O2S/c1-3-4-5-12(2)15(13,14)11-7-8-6-9-10-7/h6H,3-5H2,1-2H3,(H2,8,9,10,11)
InChIKeyUCPZSKVJBWDODB-UHFFFAOYSA-N
MW233.30 g/mol
LogP0.19
Rot. Bonds6

About 5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole

5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole (PubChem CID 62945495) has the molecular formula C7H15N5O2S and a molecular weight of 233.30 g/mol. Its IUPAC name is 5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole
PubChem CID62945495
Molecular FormulaC7H15N5O2S
Molecular Weight233.30 g/mol
Exact Mass233.09
IUPAC Name5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole
SMILESCCCCN(C)S(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H15N5O2S/c1-3-4-5-12(2)15(13,14)11-7-8-6-9-10-7/h6H,3-5H2,1-2H3,(H2,8,9,10,11)
InChIKeyUCPZSKVJBWDODB-UHFFFAOYSA-N
XLogP0.19
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole?
The IUPAC name of 5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole (CID 62945495) is 5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole?
The canonical SMILES for 5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole is CCCCN(C)S(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of 5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole?
The InChIKey is UCPZSKVJBWDODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2S/c1-3-4-5-12(2)15(13,14)11-7-8-6-9-10-7/h6H,3-5H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole?
5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole has a molecular weight of 233.30 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole is sourced from PubChem (CID 62945495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).