6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate

C8H7CoN5O4 — CID 67206038

IUPAC6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate
SMILESCC(=O)[O-].Nc1nc(C(=O)[O-])nc2nc[nH]c12.[Co+2]
InChIInChI=1S/C6H5N5O2.C2H4O2.Co/c7-3-2-4(9-1-8-2)11-5(10-3)6(12)13;1-2(3)4;/h1H,(H,12,13)(H3,7,8,9,10,11);1H3,(H,3,4);/q;;+2/p-2
InChIKeySOBJBKKRLTYVQX-UHFFFAOYSA-L
MW296.11 g/mol
LogP-2.95
Rot. Bonds1

About 6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate

6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate (PubChem CID 67206038) has the molecular formula C8H7CoN5O4 and a molecular weight of 296.11 g/mol. Its IUPAC name is 6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate.

Molecular Properties

Compound Name6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate
PubChem CID67206038
Molecular FormulaC8H7CoN5O4
Molecular Weight296.11 g/mol
Exact Mass295.98
IUPAC Name6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate
SMILESCC(=O)[O-].Nc1nc(C(=O)[O-])nc2nc[nH]c12.[Co+2]
InChIInChI=1S/C6H5N5O2.C2H4O2.Co/c7-3-2-4(9-1-8-2)11-5(10-3)6(12)13;1-2(3)4;/h1H,(H,12,13)(H3,7,8,9,10,11);1H3,(H,3,4);/q;;+2/p-2
InChIKeySOBJBKKRLTYVQX-UHFFFAOYSA-L
XLogP-2.95
TPSA160.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 5-2.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate 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 6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate?
The IUPAC name of 6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate (CID 67206038) is 6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate.
What is the SMILES notation for 6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate?
The canonical SMILES for 6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate is CC(=O)[O-].Nc1nc(C(=O)[O-])nc2nc[nH]c12.[Co+2].
What is the InChIKey of 6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate?
The InChIKey is SOBJBKKRLTYVQX-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H5N5O2.C2H4O2.Co/c7-3-2-4(9-1-8-2)11-5(10-3)6(12)13;1-2(3)4;/h1H,(H,12,13)(H3,7,8,9,10,11);1H3,(H,3,4);/q;;+2/p-2.
What are the key properties of 6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate?
6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate has a molecular weight of 296.11 g/mol, XLogP of -2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7H-purine-2-carboxylate;cobalt(2+);acetate is sourced from PubChem (CID 67206038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).