dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+)

C3H3BMnN2O3 — CID 174913955

IUPACdioxido(1H-pyrazol-5-yloxy)borane;manganese(2+)
SMILES[Mn+2].[O-]B([O-])Oc1ccn[nH]1
InChIInChI=1S/C3H3BN2O3.Mn/c7-4(8)9-3-1-2-5-6-3;/h1-2H,(H,5,6);/q-2;+2
InChIKeyMIABZNZHXRERTQ-UHFFFAOYSA-N
MW180.82 g/mol
LogP-2.51
Rot. Bonds2

About dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+)

dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+) (PubChem CID 174913955) has the molecular formula C3H3BMnN2O3 and a molecular weight of 180.82 g/mol. Its IUPAC name is dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+).

Molecular Properties

Compound Namedioxido(1H-pyrazol-5-yloxy)borane;manganese(2+)
PubChem CID174913955
Molecular FormulaC3H3BMnN2O3
Molecular Weight180.82 g/mol
Exact Mass180.96
IUPAC Namedioxido(1H-pyrazol-5-yloxy)borane;manganese(2+)
SMILES[Mn+2].[O-]B([O-])Oc1ccn[nH]1
InChIInChI=1S/C3H3BN2O3.Mn/c7-4(8)9-3-1-2-5-6-3;/h1-2H,(H,5,6);/q-2;+2
InChIKeyMIABZNZHXRERTQ-UHFFFAOYSA-N
XLogP-2.51
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.82
LogP ≤ 5-2.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+)?
The IUPAC name of dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+) (CID 174913955) is dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+).
What is the SMILES notation for dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+)?
The canonical SMILES for dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+) is [Mn+2].[O-]B([O-])Oc1ccn[nH]1.
What is the InChIKey of dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+)?
The InChIKey is MIABZNZHXRERTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BN2O3.Mn/c7-4(8)9-3-1-2-5-6-3;/h1-2H,(H,5,6);/q-2;+2.
What are the key properties of dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+)?
dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+) has a molecular weight of 180.82 g/mol, XLogP of -2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+) is sourced from PubChem (CID 174913955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).