N-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine

C6H13N5O2S — CID 54023603

IUPACN-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCC(C)(C)NS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H13N5O2S/c1-6(2,3)11-14(12,13)10-5-7-4-8-9-5/h4,11H,1-3H3,(H2,7,8,9,10)
InChIKeyLAPVJVPQUNKQAS-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.15
Rot. Bonds3

About N-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine

N-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine (PubChem CID 54023603) has the molecular formula C6H13N5O2S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine
PubChem CID54023603
Molecular FormulaC6H13N5O2S
Molecular Weight219.27 g/mol
Exact Mass219.08
IUPAC NameN-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCC(C)(C)NS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H13N5O2S/c1-6(2,3)11-14(12,13)10-5-7-4-8-9-5/h4,11H,1-3H3,(H2,7,8,9,10)
InChIKeyLAPVJVPQUNKQAS-UHFFFAOYSA-N
XLogP-0.15
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine (CID 54023603) is N-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine is CC(C)(C)NS(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is LAPVJVPQUNKQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2S/c1-6(2,3)11-14(12,13)10-5-7-4-8-9-5/h4,11H,1-3H3,(H2,7,8,9,10).
What are the key properties of N-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine?
N-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 219.27 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 54023603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).