[(1R)-1,3-diazido-3-phenylpropyl]benzene

C15H14N6 — CID 173489253

IUPAC[(1R)-1,3-diazido-3-phenylpropyl]benzene
SMILES[N-]=[N+]=NC(C[C@@H](N=[N+]=[N-])c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N6/c16-20-18-14(12-7-3-1-4-8-12)11-15(19-21-17)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15?/m1/s1
InChIKeyYEBRGEJEELPMQG-GICMACPYSA-N
MW278.32 g/mol
LogP5.48
Rot. Bonds6

About [(1R)-1,3-diazido-3-phenylpropyl]benzene

[(1R)-1,3-diazido-3-phenylpropyl]benzene (PubChem CID 173489253) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is [(1R)-1,3-diazido-3-phenylpropyl]benzene.

Molecular Properties

Compound Name[(1R)-1,3-diazido-3-phenylpropyl]benzene
PubChem CID173489253
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name[(1R)-1,3-diazido-3-phenylpropyl]benzene
SMILES[N-]=[N+]=NC(C[C@@H](N=[N+]=[N-])c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N6/c16-20-18-14(12-7-3-1-4-8-12)11-15(19-21-17)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15?/m1/s1
InChIKeyYEBRGEJEELPMQG-GICMACPYSA-N
XLogP5.48
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.32
LogP ≤ 55.48
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [(1R)-1,3-diazido-3-phenylpropyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

(1-azido-2-chloroethyl)benzene
CID 13032303
4-azido-4-phenylbutanenitrile
CID 150477544
[azido(fluoro)methyl]benzene
CID 123240072
azido(phenyl)methanol
CID 59611949
[azido(phenyl)methyl]benzene;molecular hydrogen
CID 167689776
(1,4-diazido-4-phenylbut-2-enyl)benzene
CID 139947200
1-azidoethylbenzene;rutherfordium
CID 164682977
4-(2-aminoethyl)-N-[(2R)-2-azido-2-phenylethyl]aniline
CID 141110356
[(2S,3S)-3-azidobutan-2-yl]benzene
CID 131049282
[(1S)-1-azido-2-but-2-ynoxyethyl]benzene
CID 42611443
ethyl 90-azido-2,2-dimethyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-tetratetracontakis-phenylnonacontanoate
CID 155769575
[(1R,2R)-1,2-diazidopropyl]benzene
CID 153288330

Frequently Asked Questions

What is the IUPAC name of [(1R)-1,3-diazido-3-phenylpropyl]benzene?
The IUPAC name of [(1R)-1,3-diazido-3-phenylpropyl]benzene (CID 173489253) is [(1R)-1,3-diazido-3-phenylpropyl]benzene.
What is the SMILES notation for [(1R)-1,3-diazido-3-phenylpropyl]benzene?
The canonical SMILES for [(1R)-1,3-diazido-3-phenylpropyl]benzene is [N-]=[N+]=NC(C[C@@H](N=[N+]=[N-])c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-1,3-diazido-3-phenylpropyl]benzene?
The InChIKey is YEBRGEJEELPMQG-GICMACPYSA-N. The full InChI is InChI=1S/C15H14N6/c16-20-18-14(12-7-3-1-4-8-12)11-15(19-21-17)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15?/m1/s1.
What are the key properties of [(1R)-1,3-diazido-3-phenylpropyl]benzene?
[(1R)-1,3-diazido-3-phenylpropyl]benzene has a molecular weight of 278.32 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1,3-diazido-3-phenylpropyl]benzene is sourced from PubChem (CID 173489253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).