CID 174951839

H5AlB3KNa — CID 174951839

IUPAC—
SMILES[AlH3].[B].[B].[B].[H-].[H-].[K+].[Na+]
InChIInChI=1S/Al.3B.K.Na.5H/q;;;;2*+1;;;;2*-1
InChIKeyWQMDHXBHLWHUDG-UHFFFAOYSA-N
MW126.55 g/mol
LogP-8.09
Rot. Bonds

About CID 174951839

CID 174951839 (PubChem CID 174951839) has the molecular formula H5AlB3KNa and a molecular weight of 126.55 g/mol.

Molecular Properties

Compound NameCID 174951839
PubChem CID174951839
Molecular FormulaH5AlB3KNa
Molecular Weight126.55 g/mol
Exact Mass127.00
IUPAC Name—
SMILES[AlH3].[B].[B].[B].[H-].[H-].[K+].[Na+]
InChIInChI=1S/Al.3B.K.Na.5H/q;;;;2*+1;;;;2*-1
InChIKeyWQMDHXBHLWHUDG-UHFFFAOYSA-N
XLogP-8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.55
LogP ≤ 5-8.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 174621536
potassium;sodium;hydride;phosphane
CID 173138136
sodium;alumane;hydride;tetrahydrofluoride
CID 173022061
potassium;sodium;hydride;iron
CID 173423353
potassium;disodium;hydride;chloride
CID 175086039
potassium;alumane;hydride;sulfane
CID 173115167
potassium;sodium;hydride;silver
CID 173365088
CID 174756523
CID 174756523
potassium;disodium;boranuide;hydride
CID 173431481
nonatriacontapotassium;hydride
CID 159979106
dipotassium hydride
CID 169426950
tritriacontapotassium;hydride
CID 161318904

Frequently Asked Questions

What is the IUPAC name of CID 174951839?
The IUPAC name of CID 174951839 (CID 174951839) is not available.
What is the SMILES notation for CID 174951839?
The canonical SMILES for CID 174951839 is [AlH3].[B].[B].[B].[H-].[H-].[K+].[Na+].
What is the InChIKey of CID 174951839?
The InChIKey is WQMDHXBHLWHUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.3B.K.Na.5H/q;;;;2*+1;;;;2*-1.
What are the key properties of CID 174951839?
CID 174951839 has a molecular weight of 126.55 g/mol, XLogP of -8.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174951839 is sourced from PubChem (CID 174951839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).