[azido(phenyl)methyl]benzene;molecular hydrogen

C13H17N3 — CID 167689776

IUPAC[azido(phenyl)methyl]benzene;molecular hydrogen
SMILES[H][H].[H][H].[H][H].[N-]=[N+]=NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11N3.3H2/c14-16-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;/h1-10,13H;3*1H
InChIKeyWTEKPTLNZDQZCV-UHFFFAOYSA-N
MW215.30 g/mol
LogP4.82
Rot. Bonds3

About [azido(phenyl)methyl]benzene;molecular hydrogen

[azido(phenyl)methyl]benzene;molecular hydrogen (PubChem CID 167689776) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [azido(phenyl)methyl]benzene;molecular hydrogen.

Molecular Properties

Compound Name[azido(phenyl)methyl]benzene;molecular hydrogen
PubChem CID167689776
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[azido(phenyl)methyl]benzene;molecular hydrogen
SMILES[H][H].[H][H].[H][H].[N-]=[N+]=NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11N3.3H2/c14-16-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;/h1-10,13H;3*1H
InChIKeyWTEKPTLNZDQZCV-UHFFFAOYSA-N
XLogP4.82
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 54.82
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'}

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Related Compounds

4-[azido(phenyl)methyl]phenol
CID 134907898
3-[azido(phenyl)methyl]benzoic acid
CID 71093139
4-[4-[azido(phenyl)methyl]phenyl]butanoic acid
CID 10732631
[azido(fluoro)methyl]benzene
CID 123240072
azido(phenyl)methanol
CID 59611949
[(1R)-1,3-diazido-3-phenylpropyl]benzene
CID 173489253
1-azidoethylbenzene;rutherfordium
CID 164682977
(1,4-diazido-4-phenylbut-2-enyl)benzene
CID 139947200
methyl 3-[azido(phenyl)methyl]benzoate
CID 71093097
(1-azido-2-chloroethyl)benzene
CID 13032303
[(2S,3S)-3-azidobutan-2-yl]benzene
CID 131049282
[(1R,2R)-1,2-diazidopropyl]benzene
CID 153288330

Frequently Asked Questions

What is the IUPAC name of [azido(phenyl)methyl]benzene;molecular hydrogen?
The IUPAC name of [azido(phenyl)methyl]benzene;molecular hydrogen (CID 167689776) is [azido(phenyl)methyl]benzene;molecular hydrogen.
What is the SMILES notation for [azido(phenyl)methyl]benzene;molecular hydrogen?
The canonical SMILES for [azido(phenyl)methyl]benzene;molecular hydrogen is [H][H].[H][H].[H][H].[N-]=[N+]=NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [azido(phenyl)methyl]benzene;molecular hydrogen?
The InChIKey is WTEKPTLNZDQZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3.3H2/c14-16-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;/h1-10,13H;3*1H.
What are the key properties of [azido(phenyl)methyl]benzene;molecular hydrogen?
[azido(phenyl)methyl]benzene;molecular hydrogen has a molecular weight of 215.30 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [azido(phenyl)methyl]benzene;molecular hydrogen is sourced from PubChem (CID 167689776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).