2-(1-phenyltetrazol-5-yl)oxyaniline

C13H11N5O — CID 1079791

IUPAC2-(1-phenyltetrazol-5-yl)oxyaniline
SMILESNc1ccccc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C13H11N5O/c14-11-8-4-5-9-12(11)19-13-15-16-17-18(13)10-6-2-1-3-7-10/h1-9H,14H2
InChIKeyDREQLIQBUZTFAB-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.04
Rot. Bonds3

About 2-(1-phenyltetrazol-5-yl)oxyaniline

2-(1-phenyltetrazol-5-yl)oxyaniline (PubChem CID 1079791) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)oxyaniline.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)oxyaniline
PubChem CID1079791
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name2-(1-phenyltetrazol-5-yl)oxyaniline
SMILESNc1ccccc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C13H11N5O/c14-11-8-4-5-9-12(11)19-13-15-16-17-18(13)10-6-2-1-3-7-10/h1-9H,14H2
InChIKeyDREQLIQBUZTFAB-UHFFFAOYSA-N
XLogP2.04
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2-azidophenoxy)-1-phenyltetrazole
CID 169324997
1-phenyl-5-(4-phenylphenoxy)tetrazole
CID 2477634
[4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
CID 114323919
5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole
CID 107284493
3-bromo-5-(1-phenyltetrazol-5-yl)oxyaniline
CID 103589118
7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one
CID 70472017
1-phenyl-5-phenylmethoxytetrazole
CID 5082830
1-phenyl-5-propan-2-yloxytetrazole
CID 1263322
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
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206363

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)oxyaniline?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)oxyaniline (CID 1079791) is 2-(1-phenyltetrazol-5-yl)oxyaniline.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)oxyaniline?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)oxyaniline is Nc1ccccc1Oc1nnnn1-c1ccccc1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)oxyaniline?
The InChIKey is DREQLIQBUZTFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-11-8-4-5-9-12(11)19-13-15-16-17-18(13)10-6-2-1-3-7-10/h1-9H,14H2.
What are the key properties of 2-(1-phenyltetrazol-5-yl)oxyaniline?
2-(1-phenyltetrazol-5-yl)oxyaniline has a molecular weight of 253.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)oxyaniline is sourced from PubChem (CID 1079791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).