1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C15H16ClN7O3S — CID 137031637

IUPAC1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3ccc4c(c3)S(=O)(=O)Nc3ncnn3-4)n2)CCCC1
InChIInChI=1S/C15H15N7O3S.ClH/c16-15(5-1-2-6-15)13-19-12(25-20-13)9-3-4-10-11(7-9)26(23,24)21-14-17-8-18-22(10)14;/h3-4,7-8H,1-2,5-6,16H2,(H,17,18,21);1H
InChIKeyLNNXQGBXPJSYTO-UHFFFAOYSA-N
MW409.86 g/mol
LogP1.58
Rot. Bonds2

About 1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 137031637) has the molecular formula C15H16ClN7O3S and a molecular weight of 409.86 g/mol. Its IUPAC name is 1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID137031637
Molecular FormulaC15H16ClN7O3S
Molecular Weight409.86 g/mol
Exact Mass409.07
IUPAC Name1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3ccc4c(c3)S(=O)(=O)Nc3ncnn3-4)n2)CCCC1
InChIInChI=1S/C15H15N7O3S.ClH/c16-15(5-1-2-6-15)13-19-12(25-20-13)9-3-4-10-11(7-9)26(23,24)21-14-17-8-18-22(10)14;/h3-4,7-8H,1-2,5-6,16H2,(H,17,18,21);1H
InChIKeyLNNXQGBXPJSYTO-UHFFFAOYSA-N
XLogP1.58
TPSA141.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.86
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 137031637) is 1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3ccc4c(c3)S(=O)(=O)Nc3ncnn3-4)n2)CCCC1.
What is the InChIKey of 1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is LNNXQGBXPJSYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O3S.ClH/c16-15(5-1-2-6-15)13-19-12(25-20-13)9-3-4-10-11(7-9)26(23,24)21-14-17-8-18-22(10)14;/h3-4,7-8H,1-2,5-6,16H2,(H,17,18,21);1H.
What are the key properties of 1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 409.86 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 137031637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).