[1,2,5]oxadiazolo[2,3-a]pyridin-5-imine

C6H5N3O — CID 162788959

IUPAC[1,2,5]oxadiazolo[2,3-a]pyridin-5-imine
SMILES[H]/N=c1\ccn2oncc2c1
InChIInChI=1S/C6H5N3O/c7-5-1-2-9-6(3-5)4-8-10-9/h1-4,7H/b7-5+
InChIKeyZPSWLUIEQHISQE-FNORWQNLSA-N
MW135.13 g/mol
LogP0.41
Rot. Bonds

About [1,2,5]oxadiazolo[2,3-a]pyridin-5-imine

[1,2,5]oxadiazolo[2,3-a]pyridin-5-imine (PubChem CID 162788959) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is [1,2,5]oxadiazolo[2,3-a]pyridin-5-imine.

Molecular Properties

Compound Name[1,2,5]oxadiazolo[2,3-a]pyridin-5-imine
PubChem CID162788959
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name[1,2,5]oxadiazolo[2,3-a]pyridin-5-imine
SMILES[H]/N=c1\ccn2oncc2c1
InChIInChI=1S/C6H5N3O/c7-5-1-2-9-6(3-5)4-8-10-9/h1-4,7H/b7-5+
InChIKeyZPSWLUIEQHISQE-FNORWQNLSA-N
XLogP0.41
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,2,5]oxadiazolo[2,3-a]pyridin-5-imine?
The IUPAC name of [1,2,5]oxadiazolo[2,3-a]pyridin-5-imine (CID 162788959) is [1,2,5]oxadiazolo[2,3-a]pyridin-5-imine.
What is the SMILES notation for [1,2,5]oxadiazolo[2,3-a]pyridin-5-imine?
The canonical SMILES for [1,2,5]oxadiazolo[2,3-a]pyridin-5-imine is [H]/N=c1\ccn2oncc2c1.
What is the InChIKey of [1,2,5]oxadiazolo[2,3-a]pyridin-5-imine?
The InChIKey is ZPSWLUIEQHISQE-FNORWQNLSA-N. The full InChI is InChI=1S/C6H5N3O/c7-5-1-2-9-6(3-5)4-8-10-9/h1-4,7H/b7-5+.
What are the key properties of [1,2,5]oxadiazolo[2,3-a]pyridin-5-imine?
[1,2,5]oxadiazolo[2,3-a]pyridin-5-imine has a molecular weight of 135.13 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,5]oxadiazolo[2,3-a]pyridin-5-imine is sourced from PubChem (CID 162788959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).