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

C5H6N4Zn — CID 137207443

IUPAC[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc
SMILESNC=C1NC=N/C1=N/C=[Zn]
InChIInChI=1S/C5H6N4.Zn/c1-7-5-4(2-6)8-3-9-5;/h1-3H,6H2,(H,8,9);
InChIKeyGWDMLAXZYKIVQM-UHFFFAOYSA-N
MW187.52 g/mol
LogP-0.88
Rot. Bonds1

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

[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc (PubChem CID 137207443) has the molecular formula C5H6N4Zn and a molecular weight of 187.52 g/mol. Its IUPAC name is [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc.

Molecular Properties

Compound Name[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc
PubChem CID137207443
Molecular FormulaC5H6N4Zn
Molecular Weight187.52 g/mol
Exact Mass185.99
IUPAC Name[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc
SMILESNC=C1NC=N/C1=N/C=[Zn]
InChIInChI=1S/C5H6N4.Zn/c1-7-5-4(2-6)8-3-9-5;/h1-3H,6H2,(H,8,9);
InChIKeyGWDMLAXZYKIVQM-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 ≤ 500187.52
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc?
The IUPAC name of [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc (CID 137207443) is [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc.
What is the SMILES notation for [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc?
The canonical SMILES for [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc is NC=C1NC=N/C1=N/C=[Zn].
What is the InChIKey of [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc?
The InChIKey is GWDMLAXZYKIVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4.Zn/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]methylidenezinc?
[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc has a molecular weight of 187.52 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]methylidenezinc is sourced from PubChem (CID 137207443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).