5-methoxy-3H-1,3-azastibole

C4H6NOSb — CID 173348534

IUPAC5-methoxy-3H-1,3-azastibole
SMILESCOC1=C[SbH]C=N1
InChIInChI=1S/C4H5NO.Sb.H/c1-4(5-2)6-3;;/h1-2H,3H3;;
InChIKeyJGHVALSGCBHRFG-UHFFFAOYSA-N
MW205.86 g/mol
LogP-0.09
Rot. Bonds1

About 5-methoxy-3H-1,3-azastibole

5-methoxy-3H-1,3-azastibole (PubChem CID 173348534) has the molecular formula C4H6NOSb and a molecular weight of 205.86 g/mol. Its IUPAC name is 5-methoxy-3H-1,3-azastibole.

Molecular Properties

Compound Name5-methoxy-3H-1,3-azastibole
PubChem CID173348534
Molecular FormulaC4H6NOSb
Molecular Weight205.86 g/mol
Exact Mass204.95
IUPAC Name5-methoxy-3H-1,3-azastibole
SMILESCOC1=C[SbH]C=N1
InChIInChI=1S/C4H5NO.Sb.H/c1-4(5-2)6-3;;/h1-2H,3H3;;
InChIKeyJGHVALSGCBHRFG-UHFFFAOYSA-N
XLogP-0.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.86
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3H-1,3-azastibole?
The IUPAC name of 5-methoxy-3H-1,3-azastibole (CID 173348534) is 5-methoxy-3H-1,3-azastibole.
What is the SMILES notation for 5-methoxy-3H-1,3-azastibole?
The canonical SMILES for 5-methoxy-3H-1,3-azastibole is COC1=C[SbH]C=N1.
What is the InChIKey of 5-methoxy-3H-1,3-azastibole?
The InChIKey is JGHVALSGCBHRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.Sb.H/c1-4(5-2)6-3;;/h1-2H,3H3;;.
What are the key properties of 5-methoxy-3H-1,3-azastibole?
5-methoxy-3H-1,3-azastibole has a molecular weight of 205.86 g/mol, XLogP of -0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3H-1,3-azastibole is sourced from PubChem (CID 173348534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).