CID 59312607

C5H8N3Re- — CID 59312607

IUPAC—
SMILESCC(C)n1cn[c-]n1.[Re]
InChIInChI=1S/C5H8N3.Re/c1-5(2)8-4-6-3-7-8;/h4-5H,1-2H3;/q-1;
InChIKeyBWBAJYOLWISGIA-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.66
Rot. Bonds1

About CID 59312607

CID 59312607 (PubChem CID 59312607) has the molecular formula C5H8N3Re- and a molecular weight of 296.35 g/mol.

Molecular Properties

Compound NameCID 59312607
PubChem CID59312607
Molecular FormulaC5H8N3Re-
Molecular Weight296.35 g/mol
Exact Mass297.03
IUPAC Name—
SMILESCC(C)n1cn[c-]n1.[Re]
InChIInChI=1S/C5H8N3.Re/c1-5(2)8-4-6-3-7-8;/h4-5H,1-2H3;/q-1;
InChIKeyBWBAJYOLWISGIA-UHFFFAOYSA-N
XLogP0.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59312607?
The IUPAC name of CID 59312607 (CID 59312607) is not available.
What is the SMILES notation for CID 59312607?
The canonical SMILES for CID 59312607 is CC(C)n1cn[c-]n1.[Re].
What is the InChIKey of CID 59312607?
The InChIKey is BWBAJYOLWISGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N3.Re/c1-5(2)8-4-6-3-7-8;/h4-5H,1-2H3;/q-1;.
What are the key properties of CID 59312607?
CID 59312607 has a molecular weight of 296.35 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59312607 is sourced from PubChem (CID 59312607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).