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

C7H15N5O3S — CID 114810243

IUPACN-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine
SMILESCOc1n[nH]c(NS(=O)(=O)NC(C)(C)C)n1
InChIInChI=1S/C7H15N5O3S/c1-7(2,3)12-16(13,14)11-5-8-6(15-4)10-9-5/h12H,1-4H3,(H2,8,9,10,11)
InChIKeyQBDOMRWOVMLCED-UHFFFAOYSA-N
MW249.30 g/mol
LogP-0.14
Rot. Bonds4

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

N-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine (PubChem CID 114810243) has the molecular formula C7H15N5O3S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine
PubChem CID114810243
Molecular FormulaC7H15N5O3S
Molecular Weight249.30 g/mol
Exact Mass249.09
IUPAC NameN-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine
SMILESCOc1n[nH]c(NS(=O)(=O)NC(C)(C)C)n1
InChIInChI=1S/C7H15N5O3S/c1-7(2,3)12-16(13,14)11-5-8-6(15-4)10-9-5/h12H,1-4H3,(H2,8,9,10,11)
InChIKeyQBDOMRWOVMLCED-UHFFFAOYSA-N
XLogP-0.14
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine (CID 114810243) is N-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine is COc1n[nH]c(NS(=O)(=O)NC(C)(C)C)n1.
What is the InChIKey of N-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine?
The InChIKey is QBDOMRWOVMLCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O3S/c1-7(2,3)12-16(13,14)11-5-8-6(15-4)10-9-5/h12H,1-4H3,(H2,8,9,10,11).
What are the key properties of N-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine?
N-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine has a molecular weight of 249.30 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 114810243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).