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

C6H13N5O3S — CID 114810245

IUPAC3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCOc1n[nH]c(NS(=O)(=O)NC(C)C)n1
InChIInChI=1S/C6H13N5O3S/c1-4(2)10-15(12,13)11-5-7-6(14-3)9-8-5/h4,10H,1-3H3,(H2,7,8,9,11)
InChIKeyZGYPSAASKDKTCX-UHFFFAOYSA-N
MW235.27 g/mol
LogP-0.53
Rot. Bonds5

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

3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine (PubChem CID 114810245) has the molecular formula C6H13N5O3S and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine
PubChem CID114810245
Molecular FormulaC6H13N5O3S
Molecular Weight235.27 g/mol
Exact Mass235.07
IUPAC Name3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCOc1n[nH]c(NS(=O)(=O)NC(C)C)n1
InChIInChI=1S/C6H13N5O3S/c1-4(2)10-15(12,13)11-5-7-6(14-3)9-8-5/h4,10H,1-3H3,(H2,7,8,9,11)
InChIKeyZGYPSAASKDKTCX-UHFFFAOYSA-N
XLogP-0.53
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810246
N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810083
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
3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
CID 104818619
3-ethoxy-N-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 113638161
N-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine
CID 114810243
3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810244
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

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine (CID 114810245) is 3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine is COc1n[nH]c(NS(=O)(=O)NC(C)C)n1.
What is the InChIKey of 3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is ZGYPSAASKDKTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O3S/c1-4(2)10-15(12,13)11-5-7-6(14-3)9-8-5/h4,10H,1-3H3,(H2,7,8,9,11).
What are the key properties of 3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine?
3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 235.27 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 114810245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).