cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine

C16H18CoN8O2 — CID 59027192

IUPACcobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine
SMILESO=C1NC23NC(=O)NC2(N1)c1cccnc1-c1ncccc13.[CH2-]N.[CH2-]N.[Co+2]
InChIInChI=1S/C14H10N6O2.2CH4N.Co/c21-11-17-13-7-3-1-5-15-9(7)10-8(4-2-6-16-10)14(13,19-11)20-12(22)18-13;2*1-2;/h1-6H,(H2,17,19,21)(H2,18,20,22);2*1-2H2;/q;2*-1;+2
InChIKeyAXYLCPQANMQMMM-UHFFFAOYSA-N
MW413.31 g/mol
LogP-0.44
Rot. Bonds

About cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine

cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine (PubChem CID 59027192) has the molecular formula C16H18CoN8O2 and a molecular weight of 413.31 g/mol. Its IUPAC name is cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine.

Molecular Properties

Compound Namecobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine
PubChem CID59027192
Molecular FormulaC16H18CoN8O2
Molecular Weight413.31 g/mol
Exact Mass413.09
IUPAC Namecobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine
SMILESO=C1NC23NC(=O)NC2(N1)c1cccnc1-c1ncccc13.[CH2-]N.[CH2-]N.[Co+2]
InChIInChI=1S/C14H10N6O2.2CH4N.Co/c21-11-17-13-7-3-1-5-15-9(7)10-8(4-2-6-16-10)14(13,19-11)20-12(22)18-13;2*1-2;/h1-6H,(H2,17,19,21)(H2,18,20,22);2*1-2H2;/q;2*-1;+2
InChIKeyAXYLCPQANMQMMM-UHFFFAOYSA-N
XLogP-0.44
TPSA160.08 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine 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 cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine?
The IUPAC name of cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine (CID 59027192) is cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine.
What is the SMILES notation for cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine?
The canonical SMILES for cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine is O=C1NC23NC(=O)NC2(N1)c1cccnc1-c1ncccc13.[CH2-]N.[CH2-]N.[Co+2].
What is the InChIKey of cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine?
The InChIKey is AXYLCPQANMQMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O2.2CH4N.Co/c21-11-17-13-7-3-1-5-15-9(7)10-8(4-2-6-16-10)14(13,19-11)20-12(22)18-13;2*1-2;/h1-6H,(H2,17,19,21)(H2,18,20,22);2*1-2H2;/q;2*-1;+2.
What are the key properties of cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine?
cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine has a molecular weight of 413.31 g/mol, XLogP of -0.44, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine is sourced from PubChem (CID 59027192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).