CID 20769911

H3N67 — CID 20769911

About CID 20769911

CID 20769911 (PubChem CID 20769911) has the molecular formula H3N67 and a molecular weight of 941.49 g/mol.

Molecular Properties

• Compound Name: CID 20769911
• PubChem CID: 20769911
• Molecular Formula: H3N67
• Molecular Weight: 941.49 g/mol
• Exact Mass: 941.23
• IUPAC Name: —
• SMILES: [H]/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N
• InChI: InChI=1S/H3N67/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h(H3,1,2,5,6,9,10,13,14,17,18,21,22,25,26,29,30,33,34,37,38,41,42,45,46,49,50,53,54,57,58,61,62,65,66)
• InChIKey: FFILPTZRXYVYLJ-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 853.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 32
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.49
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 20769911?

The IUPAC name of CID 20769911 (CID 20769911) is not available.

What is the SMILES notation for CID 20769911?

The canonical SMILES for CID 20769911 is [H]/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N.

What is the InChIKey of CID 20769911?

The InChIKey is FFILPTZRXYVYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N67/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h(H3,1,2,5,6,9,10,13,14,17,18,21,22,25,26,29,30,33,34,37,38,41,42,45,46,49,50,53,54,57,58,61,62,65,66).

What are the key properties of CID 20769911?

CID 20769911 has a molecular weight of 941.49 g/mol, XLogP of 11.64, 32 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 20769911 is sourced from PubChem (CID 20769911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).