2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline

C15H15N5 — CID 61353615

IUPAC2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline
SMILESCCc1ccccc1-n1nnnc1-c1ccccc1N
InChIInChI=1S/C15H15N5/c1-2-11-7-3-6-10-14(11)20-15(17-18-19-20)12-8-4-5-9-13(12)16/h3-10H,2,16H2,1H3
InChIKeyDVGSKJPGYJCSLF-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.47
Rot. Bonds3

About 2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline

2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline (PubChem CID 61353615) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline
PubChem CID61353615
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline
SMILESCCc1ccccc1-n1nnnc1-c1ccccc1N
InChIInChI=1S/C15H15N5/c1-2-11-7-3-6-10-14(11)20-15(17-18-19-20)12-8-4-5-9-13(12)16/h3-10H,2,16H2,1H3
InChIKeyDVGSKJPGYJCSLF-UHFFFAOYSA-N
XLogP2.47
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline (CID 61353615) is 2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline is CCc1ccccc1-n1nnnc1-c1ccccc1N.
What is the InChIKey of 2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline?
The InChIKey is DVGSKJPGYJCSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-11-7-3-6-10-14(11)20-15(17-18-19-20)12-8-4-5-9-13(12)16/h3-10H,2,16H2,1H3.
What are the key properties of 2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline?
2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline has a molecular weight of 265.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61353615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).