2-(4-ethoxyphenyl)benzotriazol-5-amine

C14H14N4O — CID 721106

IUPAC2-(4-ethoxyphenyl)benzotriazol-5-amine
SMILESCCOc1ccc(-n2nc3ccc(N)cc3n2)cc1
InChIInChI=1S/C14H14N4O/c1-2-19-12-6-4-11(5-7-12)18-16-13-8-3-10(15)9-14(13)17-18/h3-9H,2,15H2,1H3
InChIKeyJCOYWDAMLRGLRJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.40
Rot. Bonds3

About 2-(4-ethoxyphenyl)benzotriazol-5-amine

2-(4-ethoxyphenyl)benzotriazol-5-amine (PubChem CID 721106) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)benzotriazol-5-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)benzotriazol-5-amine
PubChem CID721106
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(4-ethoxyphenyl)benzotriazol-5-amine
SMILESCCOc1ccc(-n2nc3ccc(N)cc3n2)cc1
InChIInChI=1S/C14H14N4O/c1-2-19-12-6-4-11(5-7-12)18-16-13-8-3-10(15)9-14(13)17-18/h3-9H,2,15H2,1H3
InChIKeyJCOYWDAMLRGLRJ-UHFFFAOYSA-N
XLogP2.40
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.40
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-(4-ethoxyphenyl)benzotriazol-5-amine?
The IUPAC name of 2-(4-ethoxyphenyl)benzotriazol-5-amine (CID 721106) is 2-(4-ethoxyphenyl)benzotriazol-5-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)benzotriazol-5-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)benzotriazol-5-amine is CCOc1ccc(-n2nc3ccc(N)cc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)benzotriazol-5-amine?
The InChIKey is JCOYWDAMLRGLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-19-12-6-4-11(5-7-12)18-16-13-8-3-10(15)9-14(13)17-18/h3-9H,2,15H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)benzotriazol-5-amine?
2-(4-ethoxyphenyl)benzotriazol-5-amine has a molecular weight of 254.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)benzotriazol-5-amine is sourced from PubChem (CID 721106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).