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

C5H5N4Zn- — CID 137207442

IUPAC[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc
SMILESN/[C-]=C1\NC=N\C1=N\C=[Zn]
InChIInChI=1S/C5H5N4.Zn/c1-7-5-4(2-6)8-3-9-5;/h1,3H,6H2,(H,8,9);/q-1;
InChIKeyUWRNWTHHKPONBA-UHFFFAOYSA-N
MW186.51 g/mol
LogP-1.07
Rot. Bonds1

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

[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc (PubChem CID 137207442) has the molecular formula C5H5N4Zn- and a molecular weight of 186.51 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 CID137207442
Molecular FormulaC5H5N4Zn-
Molecular Weight186.51 g/mol
Exact Mass184.98
IUPAC Name[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc
SMILESN/[C-]=C1\NC=N\C1=N\C=[Zn]
InChIInChI=1S/C5H5N4.Zn/c1-7-5-4(2-6)8-3-9-5;/h1,3H,6H2,(H,8,9);/q-1;
InChIKeyUWRNWTHHKPONBA-UHFFFAOYSA-N
XLogP-1.07
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.51
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'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 137207442) 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 N/[C-]=C1\NC=N\C1=N\C=[Zn].
What is the InChIKey of [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc?
The InChIKey is UWRNWTHHKPONBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N4.Zn/c1-7-5-4(2-6)8-3-9-5;/h1,3H,6H2,(H,8,9);/q-1;.
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 186.51 g/mol, XLogP of -1.07, 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 137207442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).