CID 164774251

H3N93 — CID 164774251

About CID 164774251

CID 164774251 (PubChem CID 164774251) has the molecular formula H3N93 and a molecular weight of 1305.67 g/mol.

Molecular Properties

• Compound Name: CID 164774251
• PubChem CID: 164774251
• Molecular Formula: H3N93
• Molecular Weight: 1305.67 g/mol
• Exact Mass: 1305.31
• 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=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/H3N93/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h(H3,1,2,5,6,9,10,13,14,17,18,21,22,25,26,29,30,33,34,37,38,41,42,45,46,49,50,53,54,57,58,61,62,65,66,69,70,73,74,77,78,81,82,85,86,89,90,93)
• InChIKey: BJPQURSSLKUZAW-UHFFFAOYSA-N
• XLogP: 16.42
• TPSA: 1174.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 45
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1305.67
LogP ≤ 5	16.42
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 164774251?

The IUPAC name of CID 164774251 (CID 164774251) is not available.

What is the SMILES notation for CID 164774251?

The canonical SMILES for CID 164774251 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=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 164774251?

The InChIKey is BJPQURSSLKUZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N93/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h(H3,1,2,5,6,9,10,13,14,17,18,21,22,25,26,29,30,33,34,37,38,41,42,45,46,49,50,53,54,57,58,61,62,65,66,69,70,73,74,77,78,81,82,85,86,89,90,93).

What are the key properties of CID 164774251?

CID 164774251 has a molecular weight of 1305.67 g/mol, XLogP of 16.42, 45 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 164774251 is sourced from PubChem (CID 164774251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).