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

C5H8F3N5O3S — CID 114810246

IUPAC3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCOc1n[nH]c(NS(=O)(=O)NCC(F)(F)F)n1
InChIInChI=1S/C5H8F3N5O3S/c1-16-4-10-3(11-12-4)13-17(14,15)9-2-5(6,7)8/h9H,2H2,1H3,(H2,10,11,12,13)
InChIKeyGEKFJMVQCPITSN-UHFFFAOYSA-N
MW275.21 g/mol
LogP-0.38
Rot. Bonds5

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

3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine (PubChem CID 114810246) has the molecular formula C5H8F3N5O3S and a molecular weight of 275.21 g/mol. Its IUPAC name is 3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine
PubChem CID114810246
Molecular FormulaC5H8F3N5O3S
Molecular Weight275.21 g/mol
Exact Mass275.03
IUPAC Name3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCOc1n[nH]c(NS(=O)(=O)NCC(F)(F)F)n1
InChIInChI=1S/C5H8F3N5O3S/c1-16-4-10-3(11-12-4)13-17(14,15)9-2-5(6,7)8/h9H,2H2,1H3,(H2,10,11,12,13)
InChIKeyGEKFJMVQCPITSN-UHFFFAOYSA-N
XLogP-0.38
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 5-0.38
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-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
CID 83101879
5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole
CID 83102100
3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810244
3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810245
3-methoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810247
N-(ethylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine
CID 114810248
N-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine
CID 114810249
3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810296
3-ethoxy-N-(methylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810298
3-ethoxy-N-(ethylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810299
3-methoxy-N-(2-methylpropylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114815938

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine (CID 114810246) is 3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine is COc1n[nH]c(NS(=O)(=O)NCC(F)(F)F)n1.
What is the InChIKey of 3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is GEKFJMVQCPITSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N5O3S/c1-16-4-10-3(11-12-4)13-17(14,15)9-2-5(6,7)8/h9H,2H2,1H3,(H2,10,11,12,13).
What are the key properties of 3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine?
3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 275.21 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 114810246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).