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

C7H15N5O3S — CID 83102100

IUPAC5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole
SMILESCCN(CC)S(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C7H15N5O3S/c1-4-12(5-2)16(13,14)11-6-8-7(15-3)10-9-6/h4-5H2,1-3H3,(H2,8,9,10,11)
InChIKeyBUVBGPFITNOUTO-UHFFFAOYSA-N
MW249.30 g/mol
LogP-0.19
Rot. Bonds6

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

5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole (PubChem CID 83102100) has the molecular formula C7H15N5O3S and a molecular weight of 249.30 g/mol. Its IUPAC name is 5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole
PubChem CID83102100
Molecular FormulaC7H15N5O3S
Molecular Weight249.30 g/mol
Exact Mass249.09
IUPAC Name5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole
SMILESCCN(CC)S(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C7H15N5O3S/c1-4-12(5-2)16(13,14)11-6-8-7(15-3)10-9-6/h4-5H2,1-3H3,(H2,8,9,10,11)
InChIKeyBUVBGPFITNOUTO-UHFFFAOYSA-N
XLogP-0.19
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole?
The IUPAC name of 5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole (CID 83102100) is 5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole.
What is the SMILES notation for 5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole?
The canonical SMILES for 5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole is CCN(CC)S(=O)(=O)Nc1nc(OC)n[nH]1.
What is the InChIKey of 5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole?
The InChIKey is BUVBGPFITNOUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O3S/c1-4-12(5-2)16(13,14)11-6-8-7(15-3)10-9-6/h4-5H2,1-3H3,(H2,8,9,10,11).
What are the key properties of 5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole?
5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole has a molecular weight of 249.30 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole is sourced from PubChem (CID 83102100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).