azidomethane;benzene

C13H15N3 — CID 162077084

IUPACazidomethane;benzene
SMILESCN=[N+]=[N-].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.CH3N3/c2*1-2-4-6-5-3-1;1-3-4-2/h2*1-6H;1H3
InChIKeyZBVPJGNGJNWTCQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP4.30
Rot. Bonds

About azidomethane;benzene

azidomethane;benzene (PubChem CID 162077084) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is azidomethane;benzene.

Molecular Properties

Compound Nameazidomethane;benzene
PubChem CID162077084
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Nameazidomethane;benzene
SMILESCN=[N+]=[N-].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.CH3N3/c2*1-2-4-6-5-3-1;1-3-4-2/h2*1-6H;1H3
InChIKeyZBVPJGNGJNWTCQ-UHFFFAOYSA-N
XLogP4.30
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze azidomethane;benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azidomethane;benzene?
The IUPAC name of azidomethane;benzene (CID 162077084) is azidomethane;benzene.
What is the SMILES notation for azidomethane;benzene?
The canonical SMILES for azidomethane;benzene is CN=[N+]=[N-].c1ccccc1.c1ccccc1.
What is the InChIKey of azidomethane;benzene?
The InChIKey is ZBVPJGNGJNWTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.CH3N3/c2*1-2-4-6-5-3-1;1-3-4-2/h2*1-6H;1H3.
What are the key properties of azidomethane;benzene?
azidomethane;benzene has a molecular weight of 213.28 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azidomethane;benzene is sourced from PubChem (CID 162077084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).