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

C8H17N5O3S — CID 104818619

IUPAC3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
SMILESCCOc1n[nH]c(NS(=O)(=O)N(C)C(C)C)n1
InChIInChI=1S/C8H17N5O3S/c1-5-16-8-9-7(10-11-8)12-17(14,15)13(4)6(2)3/h6H,5H2,1-4H3,(H2,9,10,11,12)
InChIKeyYYAKBMNPZUFMPT-UHFFFAOYSA-N
MW263.32 g/mol
LogP0.20
Rot. Bonds6

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

3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole (PubChem CID 104818619) has the molecular formula C8H17N5O3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
PubChem CID104818619
Molecular FormulaC8H17N5O3S
Molecular Weight263.32 g/mol
Exact Mass263.11
IUPAC Name3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
SMILESCCOc1n[nH]c(NS(=O)(=O)N(C)C(C)C)n1
InChIInChI=1S/C8H17N5O3S/c1-5-16-8-9-7(10-11-8)12-17(14,15)13(4)6(2)3/h6H,5H2,1-4H3,(H2,9,10,11,12)
InChIKeyYYAKBMNPZUFMPT-UHFFFAOYSA-N
XLogP0.20
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole
CID 83096536
5-(dipropylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole
CID 83101412
3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
CID 83101879
5-[[butyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole
CID 83101986
5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole
CID 83102100
5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole
CID 104818481
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide
CID 104818489
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)azepane-1-sulfonamide
CID 104818490
5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
CID 104818505
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylpiperidine-1-sulfonamide
CID 104818549
5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
CID 104818550
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide
CID 104818566

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole?
The IUPAC name of 3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole (CID 104818619) is 3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole.
What is the SMILES notation for 3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole?
The canonical SMILES for 3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole is CCOc1n[nH]c(NS(=O)(=O)N(C)C(C)C)n1.
What is the InChIKey of 3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole?
The InChIKey is YYAKBMNPZUFMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O3S/c1-5-16-8-9-7(10-11-8)12-17(14,15)13(4)6(2)3/h6H,5H2,1-4H3,(H2,9,10,11,12).
What are the key properties of 3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole?
3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole has a molecular weight of 263.32 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole is sourced from PubChem (CID 104818619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).