7-propan-2-yloxadiazolo[5,4-b]pyridine

C8H9N3O — CID 58332133

IUPAC7-propan-2-yloxadiazolo[5,4-b]pyridine
SMILESCC(C)c1ccnc2onnc12
InChIInChI=1S/C8H9N3O/c1-5(2)6-3-4-9-8-7(6)10-11-12-8/h3-5H,1-2H3
InChIKeyWVPQVMRLYPCXSS-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.74
Rot. Bonds1

About 7-propan-2-yloxadiazolo[5,4-b]pyridine

7-propan-2-yloxadiazolo[5,4-b]pyridine (PubChem CID 58332133) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 7-propan-2-yloxadiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name7-propan-2-yloxadiazolo[5,4-b]pyridine
PubChem CID58332133
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name7-propan-2-yloxadiazolo[5,4-b]pyridine
SMILESCC(C)c1ccnc2onnc12
InChIInChI=1S/C8H9N3O/c1-5(2)6-3-4-9-8-7(6)10-11-12-8/h3-5H,1-2H3
InChIKeyWVPQVMRLYPCXSS-UHFFFAOYSA-N
XLogP1.74
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yloxadiazolo[5,4-b]pyridine?
The IUPAC name of 7-propan-2-yloxadiazolo[5,4-b]pyridine (CID 58332133) is 7-propan-2-yloxadiazolo[5,4-b]pyridine.
What is the SMILES notation for 7-propan-2-yloxadiazolo[5,4-b]pyridine?
The canonical SMILES for 7-propan-2-yloxadiazolo[5,4-b]pyridine is CC(C)c1ccnc2onnc12.
What is the InChIKey of 7-propan-2-yloxadiazolo[5,4-b]pyridine?
The InChIKey is WVPQVMRLYPCXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5(2)6-3-4-9-8-7(6)10-11-12-8/h3-5H,1-2H3.
What are the key properties of 7-propan-2-yloxadiazolo[5,4-b]pyridine?
7-propan-2-yloxadiazolo[5,4-b]pyridine has a molecular weight of 163.18 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yloxadiazolo[5,4-b]pyridine is sourced from PubChem (CID 58332133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).