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

C5H6CoN4 — CID 137225249

IUPAC[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenecobalt
SMILESNC=C1NC=N/C1=N/C=[Co]
InChIInChI=1S/C5H6N4.Co/c1-7-5-4(2-6)8-3-9-5;/h1-3H,6H2,(H,8,9);
InChIKeyFFTHROSMHVTHSJ-UHFFFAOYSA-N
MW181.06 g/mol
LogP-0.88
Rot. Bonds1

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

[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenecobalt (PubChem CID 137225249) has the molecular formula C5H6CoN4 and a molecular weight of 181.06 g/mol. Its IUPAC name is [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenecobalt.

Molecular Properties

Compound Name[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenecobalt
PubChem CID137225249
Molecular FormulaC5H6CoN4
Molecular Weight181.06 g/mol
Exact Mass180.99
IUPAC Name[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenecobalt
SMILESNC=C1NC=N/C1=N/C=[Co]
InChIInChI=1S/C5H6N4.Co/c1-7-5-4(2-6)8-3-9-5;/h1-3H,6H2,(H,8,9);
InChIKeyFFTHROSMHVTHSJ-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 ≤ 500181.06
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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Frequently Asked Questions

What is the IUPAC name of [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenecobalt?
The IUPAC name of [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenecobalt (CID 137225249) is [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenecobalt.
What is the SMILES notation for [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenecobalt?
The canonical SMILES for [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenecobalt is NC=C1NC=N/C1=N/C=[Co].
What is the InChIKey of [[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenecobalt?
The InChIKey is FFTHROSMHVTHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4.Co/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]methylidenecobalt?
[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenecobalt has a molecular weight of 181.06 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]methylidenecobalt is sourced from PubChem (CID 137225249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).