N,N-diazidoaniline

C6H5N7 — CID 142533024

IUPACN,N-diazidoaniline
SMILES[N-]=[N+]=NN(N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C6H5N7/c7-9-11-13(12-10-8)6-4-2-1-3-5-6/h1-5H
InChIKeyJPWHGLBMAHEPLD-UHFFFAOYSA-N
MW175.16 g/mol
LogP2.94
Rot. Bonds3

About N,N-diazidoaniline

N,N-diazidoaniline (PubChem CID 142533024) has the molecular formula C6H5N7 and a molecular weight of 175.16 g/mol. Its IUPAC name is N,N-diazidoaniline.

Molecular Properties

Compound NameN,N-diazidoaniline
PubChem CID142533024
Molecular FormulaC6H5N7
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC NameN,N-diazidoaniline
SMILES[N-]=[N+]=NN(N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C6H5N7/c7-9-11-13(12-10-8)6-4-2-1-3-5-6/h1-5H
InChIKeyJPWHGLBMAHEPLD-UHFFFAOYSA-N
XLogP2.94
TPSA100.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 52.94
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': 'Oxygen-nitrogen_single_bond', '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,N-diazidoaniline?
The IUPAC name of N,N-diazidoaniline (CID 142533024) is N,N-diazidoaniline.
What is the SMILES notation for N,N-diazidoaniline?
The canonical SMILES for N,N-diazidoaniline is [N-]=[N+]=NN(N=[N+]=[N-])c1ccccc1.
What is the InChIKey of N,N-diazidoaniline?
The InChIKey is JPWHGLBMAHEPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N7/c7-9-11-13(12-10-8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of N,N-diazidoaniline?
N,N-diazidoaniline has a molecular weight of 175.16 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diazidoaniline is sourced from PubChem (CID 142533024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).