5-(2-azidophenoxy)-1-phenyltetrazole

C13H9N7O — CID 169324997

IUPAC5-(2-azidophenoxy)-1-phenyltetrazole
SMILES[N-]=[N+]=Nc1ccccc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C13H9N7O/c14-17-15-11-8-4-5-9-12(11)21-13-16-18-19-20(13)10-6-2-1-3-7-10/h1-9H
InChIKeyROTZNCWMKNNBDA-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.40
Rot. Bonds4

About 5-(2-azidophenoxy)-1-phenyltetrazole

5-(2-azidophenoxy)-1-phenyltetrazole (PubChem CID 169324997) has the molecular formula C13H9N7O and a molecular weight of 279.26 g/mol. Its IUPAC name is 5-(2-azidophenoxy)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(2-azidophenoxy)-1-phenyltetrazole
PubChem CID169324997
Molecular FormulaC13H9N7O
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name5-(2-azidophenoxy)-1-phenyltetrazole
SMILES[N-]=[N+]=Nc1ccccc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C13H9N7O/c14-17-15-11-8-4-5-9-12(11)21-13-16-18-19-20(13)10-6-2-1-3-7-10/h1-9H
InChIKeyROTZNCWMKNNBDA-UHFFFAOYSA-N
XLogP3.40
TPSA101.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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CID 1079791
1-phenyl-5-(4-phenylphenoxy)tetrazole
CID 2477634
5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole
CID 107284493
7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one
CID 70472017
[4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
CID 114323919
1-phenyl-5-phenylmethoxytetrazole
CID 5082830
1-phenyl-5-propan-2-yloxytetrazole
CID 1263322
3-bromo-5-(1-phenyltetrazol-5-yl)oxyaniline
CID 103589118
5-butoxy-1-phenyltetrazole
CID 3098284
5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole
CID 107724421
dimethyl 4-(1-phenyltetrazol-5-yl)oxybenzene-1,3-dicarboxylate
CID 4969452
5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole
CID 8565211

Frequently Asked Questions

What is the IUPAC name of 5-(2-azidophenoxy)-1-phenyltetrazole?
The IUPAC name of 5-(2-azidophenoxy)-1-phenyltetrazole (CID 169324997) is 5-(2-azidophenoxy)-1-phenyltetrazole.
What is the SMILES notation for 5-(2-azidophenoxy)-1-phenyltetrazole?
The canonical SMILES for 5-(2-azidophenoxy)-1-phenyltetrazole is [N-]=[N+]=Nc1ccccc1Oc1nnnn1-c1ccccc1.
What is the InChIKey of 5-(2-azidophenoxy)-1-phenyltetrazole?
The InChIKey is ROTZNCWMKNNBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N7O/c14-17-15-11-8-4-5-9-12(11)21-13-16-18-19-20(13)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 5-(2-azidophenoxy)-1-phenyltetrazole?
5-(2-azidophenoxy)-1-phenyltetrazole has a molecular weight of 279.26 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azidophenoxy)-1-phenyltetrazole is sourced from PubChem (CID 169324997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).