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

C7H15N5O3S — CID 114810296

IUPAC3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCCCNS(=O)(=O)Nc1nc(OCC)n[nH]1
InChIInChI=1S/C7H15N5O3S/c1-3-5-8-16(13,14)12-6-9-7(11-10-6)15-4-2/h8H,3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyICEYLHZDCKBDFR-UHFFFAOYSA-N
MW249.30 g/mol
LogP-0.14
Rot. Bonds7

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

3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine (PubChem CID 114810296) has the molecular formula C7H15N5O3S and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine
PubChem CID114810296
Molecular FormulaC7H15N5O3S
Molecular Weight249.30 g/mol
Exact Mass249.09
IUPAC Name3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCCCNS(=O)(=O)Nc1nc(OCC)n[nH]1
InChIInChI=1S/C7H15N5O3S/c1-3-5-8-16(13,14)12-6-9-7(11-10-6)15-4-2/h8H,3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyICEYLHZDCKBDFR-UHFFFAOYSA-N
XLogP-0.14
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 113637321
3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810246
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
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide
CID 104818489
5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
CID 104818505
5-(diethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
CID 104818550
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 104818613
3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
CID 104818619
5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
CID 104818673

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine (CID 114810296) is 3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine is CCCNS(=O)(=O)Nc1nc(OCC)n[nH]1.
What is the InChIKey of 3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is ICEYLHZDCKBDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O3S/c1-3-5-8-16(13,14)12-6-9-7(11-10-6)15-4-2/h8H,3-5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine?
3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 249.30 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 114810296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).