6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel

C8H10N6NiO6 — CID 122130287

IUPAC6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel
SMILESO=C1NC(=O)C(/N=N\C2C(=O)NC(=O)NC2O)C(O)N1.[Ni]
InChIInChI=1S/C8H10N6O6.Ni/c15-3-1(4(16)10-7(19)9-3)13-14-2-5(17)11-8(20)12-6(2)18;/h1-3,5,15,17H,(H2,9,10,16,19)(H2,11,12,18,20);/b14-13-;
InChIKeyAVSDEUNPHCOZJX-HPWRNOGASA-N
MW344.90 g/mol
LogP-3.51
Rot. Bonds2

About 6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel

6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel (PubChem CID 122130287) has the molecular formula C8H10N6NiO6 and a molecular weight of 344.90 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel.

Molecular Properties

Compound Name6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel
PubChem CID122130287
Molecular FormulaC8H10N6NiO6
Molecular Weight344.90 g/mol
Exact Mass344.00
IUPAC Name6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel
SMILESO=C1NC(=O)C(/N=N\C2C(=O)NC(=O)NC2O)C(O)N1.[Ni]
InChIInChI=1S/C8H10N6O6.Ni/c15-3-1(4(16)10-7(19)9-3)13-14-2-5(17)11-8(20)12-6(2)18;/h1-3,5,15,17H,(H2,9,10,16,19)(H2,11,12,18,20);/b14-13-;
InChIKeyAVSDEUNPHCOZJX-HPWRNOGASA-N
XLogP-3.51
TPSA181.58 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.90
LogP ≤ 5-3.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel?
The IUPAC name of 6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel (CID 122130287) is 6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel.
What is the SMILES notation for 6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel?
The canonical SMILES for 6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel is O=C1NC(=O)C(/N=N\C2C(=O)NC(=O)NC2O)C(O)N1.[Ni].
What is the InChIKey of 6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel?
The InChIKey is AVSDEUNPHCOZJX-HPWRNOGASA-N. The full InChI is InChI=1S/C8H10N6O6.Ni/c15-3-1(4(16)10-7(19)9-3)13-14-2-5(17)11-8(20)12-6(2)18;/h1-3,5,15,17H,(H2,9,10,16,19)(H2,11,12,18,20);/b14-13-;.
What are the key properties of 6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel?
6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel has a molecular weight of 344.90 g/mol, XLogP of -3.51, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel is sourced from PubChem (CID 122130287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).