bis(1-N',3-N'-dihydroxypropanediimidamide);nickel

C6H16N8NiO4 — CID 5259453

IUPACbis(1-N',3-N'-dihydroxypropanediimidamide);nickel
SMILESNC(CC(N)=NO)=NO.NC(CC(N)=NO)=NO.[Ni]
InChIInChI=1S/2C3H8N4O2.Ni/c2*4-2(6-8)1-3(5)7-9;/h2*8-9H,1H2,(H2,4,6)(H2,5,7);
InChIKeyOWQVGOKOACGTSR-UHFFFAOYSA-N
MW322.94 g/mol
LogP-2.26
Rot. Bonds4

About bis(1-N',3-N'-dihydroxypropanediimidamide);nickel

bis(1-N',3-N'-dihydroxypropanediimidamide);nickel (PubChem CID 5259453) has the molecular formula C6H16N8NiO4 and a molecular weight of 322.94 g/mol. Its IUPAC name is bis(1-N',3-N'-dihydroxypropanediimidamide);nickel.

Molecular Properties

Compound Namebis(1-N',3-N'-dihydroxypropanediimidamide);nickel
PubChem CID5259453
Molecular FormulaC6H16N8NiO4
Molecular Weight322.94 g/mol
Exact Mass322.06
IUPAC Namebis(1-N',3-N'-dihydroxypropanediimidamide);nickel
SMILESNC(CC(N)=NO)=NO.NC(CC(N)=NO)=NO.[Ni]
InChIInChI=1S/2C3H8N4O2.Ni/c2*4-2(6-8)1-3(5)7-9;/h2*8-9H,1H2,(H2,4,6)(H2,5,7);
InChIKeyOWQVGOKOACGTSR-UHFFFAOYSA-N
XLogP-2.26
TPSA234.44 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.94
LogP ≤ 5-2.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azanide;tris(1-N',3-N'-dihydroxypropanediimidamide);nickel
CID 5259455
1-N',3-N'-dihydroxypropanediimidamide
CID 59593648
(3E)-3-amino-3-hydroxyiminopropanoic acid;(3Z)-3-amino-3-hydroxyiminopropanoic acid
CID 158833017
N'-hydroxy-3-oxobutanimidamide
CID 23339865
3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide
CID 2777210
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 5371621
(3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide
CID 172963608
tert-butyl 3-amino-3-hydroxyiminopropanoate
CID 76589802
2-[(2-amino-2-hydroxyiminoethyl)amino]acetamide
CID 77027895
2-(tert-butylamino)-N'-hydroxyethanimidamide
CID 60718842
CID 76559623
CID 76559623
N'-hydroxybut-3-enimidamide
CID 4695497

Frequently Asked Questions

What is the IUPAC name of bis(1-N',3-N'-dihydroxypropanediimidamide);nickel?
The IUPAC name of bis(1-N',3-N'-dihydroxypropanediimidamide);nickel (CID 5259453) is bis(1-N',3-N'-dihydroxypropanediimidamide);nickel.
What is the SMILES notation for bis(1-N',3-N'-dihydroxypropanediimidamide);nickel?
The canonical SMILES for bis(1-N',3-N'-dihydroxypropanediimidamide);nickel is NC(CC(N)=NO)=NO.NC(CC(N)=NO)=NO.[Ni].
What is the InChIKey of bis(1-N',3-N'-dihydroxypropanediimidamide);nickel?
The InChIKey is OWQVGOKOACGTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8N4O2.Ni/c2*4-2(6-8)1-3(5)7-9;/h2*8-9H,1H2,(H2,4,6)(H2,5,7);.
What are the key properties of bis(1-N',3-N'-dihydroxypropanediimidamide);nickel?
bis(1-N',3-N'-dihydroxypropanediimidamide);nickel has a molecular weight of 322.94 g/mol, XLogP of -2.26, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-N',3-N'-dihydroxypropanediimidamide);nickel is sourced from PubChem (CID 5259453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).