5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole

C9H19N5O3S — CID 113456576

IUPAC5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole
SMILESCCCCN(C)S(=O)(=O)Nc1nc(OCC)n[nH]1
InChIInChI=1S/C9H19N5O3S/c1-4-6-7-14(3)18(15,16)13-8-10-9(12-11-8)17-5-2/h4-7H2,1-3H3,(H2,10,11,12,13)
InChIKeyXEVRAFVSXMPPTF-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.59
Rot. Bonds8

About 5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole

5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole (PubChem CID 113456576) has the molecular formula C9H19N5O3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole
PubChem CID113456576
Molecular FormulaC9H19N5O3S
Molecular Weight277.35 g/mol
Exact Mass277.12
IUPAC Name5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole
SMILESCCCCN(C)S(=O)(=O)Nc1nc(OCC)n[nH]1
InChIInChI=1S/C9H19N5O3S/c1-4-6-7-14(3)18(15,16)13-8-10-9(12-11-8)17-5-2/h4-7H2,1-3H3,(H2,10,11,12,13)
InChIKeyXEVRAFVSXMPPTF-UHFFFAOYSA-N
XLogP0.59
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole?
The IUPAC name of 5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole (CID 113456576) is 5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole.
What is the SMILES notation for 5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole?
The canonical SMILES for 5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole is CCCCN(C)S(=O)(=O)Nc1nc(OCC)n[nH]1.
What is the InChIKey of 5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole?
The InChIKey is XEVRAFVSXMPPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O3S/c1-4-6-7-14(3)18(15,16)13-8-10-9(12-11-8)17-5-2/h4-7H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole?
5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole has a molecular weight of 277.35 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole is sourced from PubChem (CID 113456576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).