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

C5H11N5O3S — CID 83096626

IUPAC5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole
SMILESCOc1n[nH]c(NS(=O)(=O)N(C)C)n1
InChIInChI=1S/C5H11N5O3S/c1-10(2)14(11,12)9-4-6-5(13-3)8-7-4/h1-3H3,(H2,6,7,8,9)
InChIKeyYHIYLZBCVSAAIH-UHFFFAOYSA-N
MW221.24 g/mol
LogP-0.97
Rot. Bonds4

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

5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole (PubChem CID 83096626) has the molecular formula C5H11N5O3S and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole
PubChem CID83096626
Molecular FormulaC5H11N5O3S
Molecular Weight221.24 g/mol
Exact Mass221.06
IUPAC Name5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole
SMILESCOc1n[nH]c(NS(=O)(=O)N(C)C)n1
InChIInChI=1S/C5H11N5O3S/c1-10(2)14(11,12)9-4-6-5(13-3)8-7-4/h1-3H3,(H2,6,7,8,9)
InChIKeyYHIYLZBCVSAAIH-UHFFFAOYSA-N
XLogP-0.97
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole?
The IUPAC name of 5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole (CID 83096626) is 5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole.
What is the SMILES notation for 5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole?
The canonical SMILES for 5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole is COc1n[nH]c(NS(=O)(=O)N(C)C)n1.
What is the InChIKey of 5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole?
The InChIKey is YHIYLZBCVSAAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O3S/c1-10(2)14(11,12)9-4-6-5(13-3)8-7-4/h1-3H3,(H2,6,7,8,9).
What are the key properties of 5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole?
5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole has a molecular weight of 221.24 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole is sourced from PubChem (CID 83096626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).