CID 54602258

C2H9CoKN14+ — CID 54602258

IUPAC—
SMILESNCCN.[Co+3].[K+].[N-]=[N+]=N.[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-]
InChIInChI=1S/C2H8N2.Co.K.HN3.3N3/c3-1-2-4;;;4*1-3-2/h1-4H2;;;1H;;;/q;+3;+1;;3*-1
InChIKeyVPWAJMQGXNOELQ-UHFFFAOYSA-N
MW327.22 g/mol
LogP-0.62
Rot. Bonds1

About CID 54602258

CID 54602258 (PubChem CID 54602258) has the molecular formula C2H9CoKN14+ and a molecular weight of 327.22 g/mol.

Molecular Properties

Compound NameCID 54602258
PubChem CID54602258
Molecular FormulaC2H9CoKN14+
Molecular Weight327.22 g/mol
Exact Mass327.01
IUPAC Name—
SMILESNCCN.[Co+3].[K+].[N-]=[N+]=N.[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-]
InChIInChI=1S/C2H8N2.Co.K.HN3.3N3/c3-1-2-4;;;4*1-3-2/h1-4H2;;;1H;;;/q;+3;+1;;3*-1
InChIKeyVPWAJMQGXNOELQ-UHFFFAOYSA-N
XLogP-0.62
TPSA288.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 54602258?
The IUPAC name of CID 54602258 (CID 54602258) is not available.
What is the SMILES notation for CID 54602258?
The canonical SMILES for CID 54602258 is NCCN.[Co+3].[K+].[N-]=[N+]=N.[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-].
What is the InChIKey of CID 54602258?
The InChIKey is VPWAJMQGXNOELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.Co.K.HN3.3N3/c3-1-2-4;;;4*1-3-2/h1-4H2;;;1H;;;/q;+3;+1;;3*-1.
What are the key properties of CID 54602258?
CID 54602258 has a molecular weight of 327.22 g/mol, XLogP of -0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54602258 is sourced from PubChem (CID 54602258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).