lithium (aminodiazenyl)benzene

C6H6LiN3 — CID 18388300

IUPAClithium (aminodiazenyl)benzene
SMILESN/N=N/c1c[c-]ccc1.[Li+]
InChIInChI=1S/C6H6N3.Li/c7-9-8-6-4-2-1-3-5-6;/h1-2,4-5H,(H2,7,8);/q-1;+1
InChIKeyDBACZJTZPONXSU-UHFFFAOYSA-N
MW127.08 g/mol
LogP-1.55
Rot. Bonds1

About lithium (aminodiazenyl)benzene

lithium (aminodiazenyl)benzene (PubChem CID 18388300) has the molecular formula C6H6LiN3 and a molecular weight of 127.08 g/mol. Its IUPAC name is lithium (aminodiazenyl)benzene.

Molecular Properties

Compound Namelithium (aminodiazenyl)benzene
PubChem CID18388300
Molecular FormulaC6H6LiN3
Molecular Weight127.08 g/mol
Exact Mass127.07
IUPAC Namelithium (aminodiazenyl)benzene
SMILESN/N=N/c1c[c-]ccc1.[Li+]
InChIInChI=1S/C6H6N3.Li/c7-9-8-6-4-2-1-3-5-6;/h1-2,4-5H,(H2,7,8);/q-1;+1
InChIKeyDBACZJTZPONXSU-UHFFFAOYSA-N
XLogP-1.55
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.08
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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'}

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Frequently Asked Questions

What is the IUPAC name of lithium (aminodiazenyl)benzene?
The IUPAC name of lithium (aminodiazenyl)benzene (CID 18388300) is lithium (aminodiazenyl)benzene.
What is the SMILES notation for lithium (aminodiazenyl)benzene?
The canonical SMILES for lithium (aminodiazenyl)benzene is N/N=N/c1c[c-]ccc1.[Li+].
What is the InChIKey of lithium (aminodiazenyl)benzene?
The InChIKey is DBACZJTZPONXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N3.Li/c7-9-8-6-4-2-1-3-5-6;/h1-2,4-5H,(H2,7,8);/q-1;+1.
What are the key properties of lithium (aminodiazenyl)benzene?
lithium (aminodiazenyl)benzene has a molecular weight of 127.08 g/mol, XLogP of -1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (aminodiazenyl)benzene is sourced from PubChem (CID 18388300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).