CID 59312626

C5H7N3Re2-2 — CID 59312626

IUPAC—
SMILESCC(C)n1[c-]n[c-]n1.[Re].[Re]
InChIInChI=1S/C5H7N3.2Re/c1-5(2)8-4-6-3-7-8;;/h5H,1-2H3;;/q-2;;
InChIKeyZKZXFUWAJHQYFJ-UHFFFAOYSA-N
MW481.55 g/mol
LogP0.45
Rot. Bonds1

About CID 59312626

CID 59312626 (PubChem CID 59312626) has the molecular formula C5H7N3Re2-2 and a molecular weight of 481.55 g/mol.

Molecular Properties

Compound NameCID 59312626
PubChem CID59312626
Molecular FormulaC5H7N3Re2-2
Molecular Weight481.55 g/mol
Exact Mass482.98
IUPAC Name—
SMILESCC(C)n1[c-]n[c-]n1.[Re].[Re]
InChIInChI=1S/C5H7N3.2Re/c1-5(2)8-4-6-3-7-8;;/h5H,1-2H3;;/q-2;;
InChIKeyZKZXFUWAJHQYFJ-UHFFFAOYSA-N
XLogP0.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 59312626 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 59312626?
The IUPAC name of CID 59312626 (CID 59312626) is not available.
What is the SMILES notation for CID 59312626?
The canonical SMILES for CID 59312626 is CC(C)n1[c-]n[c-]n1.[Re].[Re].
What is the InChIKey of CID 59312626?
The InChIKey is ZKZXFUWAJHQYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.2Re/c1-5(2)8-4-6-3-7-8;;/h5H,1-2H3;;/q-2;;.
What are the key properties of CID 59312626?
CID 59312626 has a molecular weight of 481.55 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59312626 is sourced from PubChem (CID 59312626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).