N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide

C11H9N5O4S — CID 21143598

IUPACN-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide
SMILESO=S(=O)(c1cccc2cccnc12)n1cnc([NH+]([O-])O)n1
InChIInChI=1S/C11H9N5O4S/c17-16(18)11-13-7-15(14-11)21(19,20)9-5-1-3-8-4-2-6-12-10(8)9/h1-7,16-17H
InChIKeySEVMYFRKPMXEJC-UHFFFAOYSA-N
MW307.29 g/mol
LogP-0.53
Rot. Bonds3

About N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide

N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide (PubChem CID 21143598) has the molecular formula C11H9N5O4S and a molecular weight of 307.29 g/mol. Its IUPAC name is N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide.

Molecular Properties

Compound NameN-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide
PubChem CID21143598
Molecular FormulaC11H9N5O4S
Molecular Weight307.29 g/mol
Exact Mass307.04
IUPAC NameN-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide
SMILESO=S(=O)(c1cccc2cccnc12)n1cnc([NH+]([O-])O)n1
InChIInChI=1S/C11H9N5O4S/c17-16(18)11-13-7-15(14-11)21(19,20)9-5-1-3-8-4-2-6-12-10(8)9/h1-7,16-17H
InChIKeySEVMYFRKPMXEJC-UHFFFAOYSA-N
XLogP-0.53
TPSA125.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-methylsulfanylsulfonylquinoline
CID 913226
8-piperidin-1-ylsulfonylquinoline
CID 768759
5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione
CID 11144901
8-sulfosulfanylquinoline
CID 175491006
8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline
CID 19684943
5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane
CID 122245258
dipotassium;quinolin-8-ol;sulfate
CID 24820574
potassium;quinolin-8-olate;sulfuric acid
CID 170843806
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine
CID 100664521
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide?
The IUPAC name of N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide (CID 21143598) is N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide.
What is the SMILES notation for N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide?
The canonical SMILES for N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide is O=S(=O)(c1cccc2cccnc12)n1cnc([NH+]([O-])O)n1.
What is the InChIKey of N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide?
The InChIKey is SEVMYFRKPMXEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O4S/c17-16(18)11-13-7-15(14-11)21(19,20)9-5-1-3-8-4-2-6-12-10(8)9/h1-7,16-17H.
What are the key properties of N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide?
N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide has a molecular weight of 307.29 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide is sourced from PubChem (CID 21143598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).