2-[(2-azidophenyl)methyl]benzotriazole

C13H10N6 — CID 45103967

IUPAC2-[(2-azidophenyl)methyl]benzotriazole
SMILES[N-]=[N+]=Nc1ccccc1Cn1nc2ccccc2n1
InChIInChI=1S/C13H10N6/c14-18-15-11-6-2-1-5-10(11)9-19-16-12-7-3-4-8-13(12)17-19/h1-8H,9H2
InChIKeyOFHWQUZOFNRCMN-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.42
Rot. Bonds3

About 2-[(2-azidophenyl)methyl]benzotriazole

2-[(2-azidophenyl)methyl]benzotriazole (PubChem CID 45103967) has the molecular formula C13H10N6 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-[(2-azidophenyl)methyl]benzotriazole.

Molecular Properties

Compound Name2-[(2-azidophenyl)methyl]benzotriazole
PubChem CID45103967
Molecular FormulaC13H10N6
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name2-[(2-azidophenyl)methyl]benzotriazole
SMILES[N-]=[N+]=Nc1ccccc1Cn1nc2ccccc2n1
InChIInChI=1S/C13H10N6/c14-18-15-11-6-2-1-5-10(11)9-19-16-12-7-3-4-8-13(12)17-19/h1-8H,9H2
InChIKeyOFHWQUZOFNRCMN-UHFFFAOYSA-N
XLogP3.42
TPSA79.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[(2-azido-4-chlorophenyl)methyl]benzotriazole
CID 45103971
(2-azidophenyl)methanamine
CID 10997194
4-[(2-azidophenyl)methyl]morpholine
CID 151936808
1-azido-2-(2-phenylethyl)benzene
CID 10059466
1-[(2-azidophenyl)methyl]-2-phenylhydrazine
CID 169386568
1-azido-2-[(2-chlorophenyl)methylsulfanyl]benzene
CID 169325083
3-(2-azidophenyl)prop-1-ynyl-triethylsilane
CID 45257722
2-[(2-azidophenyl)methyl]furan
CID 142763610
3-(2-azidophenyl)-N-ethylpropan-1-amine
CID 11790330
1-[(2-azidophenyl)sulfanylmethyl]-3-chloro-2-fluorobenzene
CID 169326373
1-azido-2-(3-benzylsulfanylpropyl)benzene
CID 10493251
N-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine
CID 10021421

Frequently Asked Questions

What is the IUPAC name of 2-[(2-azidophenyl)methyl]benzotriazole?
The IUPAC name of 2-[(2-azidophenyl)methyl]benzotriazole (CID 45103967) is 2-[(2-azidophenyl)methyl]benzotriazole.
What is the SMILES notation for 2-[(2-azidophenyl)methyl]benzotriazole?
The canonical SMILES for 2-[(2-azidophenyl)methyl]benzotriazole is [N-]=[N+]=Nc1ccccc1Cn1nc2ccccc2n1.
What is the InChIKey of 2-[(2-azidophenyl)methyl]benzotriazole?
The InChIKey is OFHWQUZOFNRCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6/c14-18-15-11-6-2-1-5-10(11)9-19-16-12-7-3-4-8-13(12)17-19/h1-8H,9H2.
What are the key properties of 2-[(2-azidophenyl)methyl]benzotriazole?
2-[(2-azidophenyl)methyl]benzotriazole has a molecular weight of 250.27 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-azidophenyl)methyl]benzotriazole is sourced from PubChem (CID 45103967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).