7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium

C6H5N3O2 — CID 15744371

IUPAC7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium
SMILESCc1ccnc2no[n+]([O-])c12
InChIInChI=1S/C6H5N3O2/c1-4-2-3-7-6-5(4)9(10)11-8-6/h2-3H,1H3
InChIKeyYPTSBYVTYHPWMP-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.16
Rot. Bonds

About 7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium

7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium (PubChem CID 15744371) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium.

Molecular Properties

Compound Name7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium
PubChem CID15744371
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium
SMILESCc1ccnc2no[n+]([O-])c12
InChIInChI=1S/C6H5N3O2/c1-4-2-3-7-6-5(4)9(10)11-8-6/h2-3H,1H3
InChIKeyYPTSBYVTYHPWMP-UHFFFAOYSA-N
XLogP0.16
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium?
The IUPAC name of 7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium (CID 15744371) is 7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium.
What is the SMILES notation for 7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium?
The canonical SMILES for 7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium is Cc1ccnc2no[n+]([O-])c12.
What is the InChIKey of 7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium?
The InChIKey is YPTSBYVTYHPWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c1-4-2-3-7-6-5(4)9(10)11-8-6/h2-3H,1H3.
What are the key properties of 7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium?
7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium has a molecular weight of 151.12 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium is sourced from PubChem (CID 15744371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).