tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate

C18H30Cl2N12NiO8 — CID 71381414

IUPACtris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate
SMILESCc1cc(C)nc(NN)n1.Cc1cc(C)nc(NN)n1.Cc1cc(C)nc(NN)n1.[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3C6H10N4.2ClHO4.Ni/c3*1-4-3-5(2)9-6(8-4)10-7;2*2-1(3,4)5;/h3*3H,7H2,1-2H3,(H,8,9,10);2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyQZPAEXOQRPUICW-UHFFFAOYSA-L
MW672.11 g/mol
LogP-8.38
Rot. Bonds3

About tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate

tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate (PubChem CID 71381414) has the molecular formula C18H30Cl2N12NiO8 and a molecular weight of 672.11 g/mol. Its IUPAC name is tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate.

Molecular Properties

Compound Nametris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate
PubChem CID71381414
Molecular FormulaC18H30Cl2N12NiO8
Molecular Weight672.11 g/mol
Exact Mass670.10
IUPAC Nametris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate
SMILESCc1cc(C)nc(NN)n1.Cc1cc(C)nc(NN)n1.Cc1cc(C)nc(NN)n1.[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3C6H10N4.2ClHO4.Ni/c3*1-4-3-5(2)9-6(8-4)10-7;2*2-1(3,4)5;/h3*3H,7H2,1-2H3,(H,8,9,10);2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyQZPAEXOQRPUICW-UHFFFAOYSA-L
XLogP-8.38
TPSA375.97 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500672.11
LogP ≤ 5-8.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4,6-dimethylpyrimidin-2-yl)hydrazine;hydrochloride
CID 134128947
[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922374
[4-(3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80915689
[4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine
CID 80929995
N-(4,6-dimethylpyrimidin-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 155453170
[4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]hydrazine
CID 80912203
(4-methyl-6-prop-2-enoxypyrimidin-2-yl)hydrazine
CID 80913802
[4-(3-methoxypropoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80917412
(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)hydrazine
CID 80927767
(4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine
CID 80920357
[4-(2,5-dichlorophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192453
(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80923311

Frequently Asked Questions

What is the IUPAC name of tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate?
The IUPAC name of tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate (CID 71381414) is tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate.
What is the SMILES notation for tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate?
The canonical SMILES for tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate is Cc1cc(C)nc(NN)n1.Cc1cc(C)nc(NN)n1.Cc1cc(C)nc(NN)n1.[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate?
The InChIKey is QZPAEXOQRPUICW-UHFFFAOYSA-L. The full InChI is InChI=1S/3C6H10N4.2ClHO4.Ni/c3*1-4-3-5(2)9-6(8-4)10-7;2*2-1(3,4)5;/h3*3H,7H2,1-2H3,(H,8,9,10);2*(H,2,3,4,5);/q;;;;;+2/p-2.
What are the key properties of tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate?
tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate has a molecular weight of 672.11 g/mol, XLogP of -8.38, 3 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate is sourced from PubChem (CID 71381414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).