boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide

C15H26B2N6Ni — CID 139130888

IUPACboranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide
SMILESCc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[BH4-].[Ni+2]
InChIInChI=1S/C15H22BN6.BH4.Ni/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;;/h7-9,16H,1-6H3;1H4;/q2*-1;+2
InChIKeyGDCBZWUTEQMNIC-UHFFFAOYSA-N
MW370.73 g/mol
LogP0.33
Rot. Bonds3

About boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide

boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide (PubChem CID 139130888) has the molecular formula C15H26B2N6Ni and a molecular weight of 370.73 g/mol. Its IUPAC name is boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide.

Molecular Properties

Compound Nameboranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide
PubChem CID139130888
Molecular FormulaC15H26B2N6Ni
Molecular Weight370.73 g/mol
Exact Mass370.18
IUPAC Nameboranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide
SMILESCc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[BH4-].[Ni+2]
InChIInChI=1S/C15H22BN6.BH4.Ni/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;;/h7-9,16H,1-6H3;1H4;/q2*-1;+2
InChIKeyGDCBZWUTEQMNIC-UHFFFAOYSA-N
XLogP0.33
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.73
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide with MolForge

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

Launch Full Analysis

Related Compounds

bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+)
CID 139133852
samarium;bis(tris(3,5-dimethylpyrazol-1-yl)boranuide)
CID 139133851
tetrakis(iron(3+));tris(selenium(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;hexasulfide
CID 139121056
carbon monoxide;iodomethylidynemolybdenum(1+);tris(3,5-dimethylpyrazol-1-yl)boranuide
CID 134899130
carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide
CID 139138267
carbon monoxide;(3-hydroxy-3-phenylbutylidyne)tungsten(1+);tris(3,5-dimethylpyrazol-1-yl)boranuide
CID 134898488
1-(3,5-dimethylpyrazol-1-yl)ethanol
CID 70567807
bis(trimethylsilyl)azanide;cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide;tris(3,5-dimethylpyrazol-1-yl)boranuide;yttrium(3+)
CID 139137843
3,5-dimethylpyrazol-1-amine;europium
CID 159380818
bis(acetonitrile);iron(2+);(Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate;tris(3,5-dimethylpyrazol-1-yl)boranuide
CID 139136443
1-ethyl-3,5-dimethylpyrazole
CID 565993
1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole
CID 82091650

Frequently Asked Questions

What is the IUPAC name of boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide?
The IUPAC name of boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide (CID 139130888) is boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide.
What is the SMILES notation for boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide?
The canonical SMILES for boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide is Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[BH4-].[Ni+2].
What is the InChIKey of boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide?
The InChIKey is GDCBZWUTEQMNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BN6.BH4.Ni/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;;/h7-9,16H,1-6H3;1H4;/q2*-1;+2.
What are the key properties of boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide?
boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide has a molecular weight of 370.73 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide is sourced from PubChem (CID 139130888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).