[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel

C5H6N4Ni — CID 137185557

IUPAC[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel
SMILESNC=C1NC=N/C1=N/C=[Ni]
InChIInChI=1S/C5H6N4.Ni/c1-7-5-4(2-6)8-3-9-5;/h1-3H,6H2,(H,8,9);
InChIKeyOOFNCMSQXOAGFQ-UHFFFAOYSA-N
MW180.82 g/mol
LogP-0.88
Rot. Bonds1

About [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel

[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel (PubChem CID 137185557) has the molecular formula C5H6N4Ni and a molecular weight of 180.82 g/mol. Its IUPAC name is [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel.

Molecular Properties

Compound Name[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel
PubChem CID137185557
Molecular FormulaC5H6N4Ni
Molecular Weight180.82 g/mol
Exact Mass179.99
IUPAC Name[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel
SMILESNC=C1NC=N/C1=N/C=[Ni]
InChIInChI=1S/C5H6N4.Ni/c1-7-5-4(2-6)8-3-9-5;/h1-3H,6H2,(H,8,9);
InChIKeyOOFNCMSQXOAGFQ-UHFFFAOYSA-N
XLogP-0.88
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.82
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ZINC-adenine
CID 137207442
4,7-dihydro-1H-purine
CID 55286487
6,7-Dihydropurin-6-id-2-amine;yttrium
CID 57602780
6,7-Dihydropurin-6-id-2-amine;tungsten
CID 58774725
2-Ethyl-1-methyl-2,7-dihydropurine
CID 70179017
1,5-Dihydroimidazo[4,5-e][1,4]diazepine
CID 91462181
2,5,8,10-Tetrazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 129034702
1H-Purine-1,2-diamine
CID 135813677
1-methyl-7H-purin-2-imine
CID 135829330
1,5-Dihydroimidazo[4,5-e][1,2,4]triazepine
CID 136503629
(5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
CID 137030202
5H-imidazo[4,5-d][1,3,2]diazaindigine
CID 140080165

Frequently Asked Questions

What is the IUPAC name of [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel?
The IUPAC name of [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel (CID 137185557) is [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel.
What is the SMILES notation for [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel?
The canonical SMILES for [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel is NC=C1NC=N/C1=N/C=[Ni].
What is the InChIKey of [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel?
The InChIKey is OOFNCMSQXOAGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4.Ni/c1-7-5-4(2-6)8-3-9-5;/h1-3H,6H2,(H,8,9);.
What are the key properties of [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel?
[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel has a molecular weight of 180.82 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel is sourced from PubChem (CID 137185557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).