N-(4-azidophenyl)methanimine

C7H6N4 — CID 118548766

IUPACN-(4-azidophenyl)methanimine
SMILESC=Nc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C7H6N4/c1-9-6-2-4-7(5-3-6)10-11-8/h2-5H,1H2
InChIKeyKSLNKSNULIUSGJ-UHFFFAOYSA-N
MW146.15 g/mol
LogP2.96
Rot. Bonds2

About N-(4-azidophenyl)methanimine

N-(4-azidophenyl)methanimine (PubChem CID 118548766) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is N-(4-azidophenyl)methanimine.

Molecular Properties

Compound NameN-(4-azidophenyl)methanimine
PubChem CID118548766
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC NameN-(4-azidophenyl)methanimine
SMILESC=Nc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C7H6N4/c1-9-6-2-4-7(5-3-6)10-11-8/h2-5H,1H2
InChIKeyKSLNKSNULIUSGJ-UHFFFAOYSA-N
XLogP2.96
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-azidophenyl)methanimine?
The IUPAC name of N-(4-azidophenyl)methanimine (CID 118548766) is N-(4-azidophenyl)methanimine.
What is the SMILES notation for N-(4-azidophenyl)methanimine?
The canonical SMILES for N-(4-azidophenyl)methanimine is C=Nc1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of N-(4-azidophenyl)methanimine?
The InChIKey is KSLNKSNULIUSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-9-6-2-4-7(5-3-6)10-11-8/h2-5H,1H2.
What are the key properties of N-(4-azidophenyl)methanimine?
N-(4-azidophenyl)methanimine has a molecular weight of 146.15 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidophenyl)methanimine is sourced from PubChem (CID 118548766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).