5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide

C7H14N4O3S — CID 103023004

IUPAC5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide
SMILESCOC(C)(C)Cc1nc(S(N)(=O)=O)n[nH]1
InChIInChI=1S/C7H14N4O3S/c1-7(2,14-3)4-5-9-6(11-10-5)15(8,12)13/h4H2,1-3H3,(H2,8,12,13)(H,9,10,11)
InChIKeyQIXFLAJJRMAZLY-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.58
Rot. Bonds4

About 5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide

5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide (PubChem CID 103023004) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide
PubChem CID103023004
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC Name5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide
SMILESCOC(C)(C)Cc1nc(S(N)(=O)=O)n[nH]1
InChIInChI=1S/C7H14N4O3S/c1-7(2,14-3)4-5-9-6(11-10-5)15(8,12)13/h4H2,1-3H3,(H2,8,12,13)(H,9,10,11)
InChIKeyQIXFLAJJRMAZLY-UHFFFAOYSA-N
XLogP-0.58
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide (CID 103023004) is 5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide is COC(C)(C)Cc1nc(S(N)(=O)=O)n[nH]1.
What is the InChIKey of 5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide?
The InChIKey is QIXFLAJJRMAZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3S/c1-7(2,14-3)4-5-9-6(11-10-5)15(8,12)13/h4H2,1-3H3,(H2,8,12,13)(H,9,10,11).
What are the key properties of 5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide?
5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide has a molecular weight of 234.28 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103023004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).