6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine

C18H16N4O — CID 91676277

IUPAC6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine
SMILESCCOc1cc2nn(-c3cccc4ccccc34)nc2cc1N
InChIInChI=1S/C18H16N4O/c1-2-23-18-11-16-15(10-14(18)19)20-22(21-16)17-9-5-7-12-6-3-4-8-13(12)17/h3-11H,2,19H2,1H3
InChIKeyGAEHODQGMJWBSL-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.55
Rot. Bonds3

About 6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine

6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine (PubChem CID 91676277) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine.

Molecular Properties

Compound Name6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine
PubChem CID91676277
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine
SMILESCCOc1cc2nn(-c3cccc4ccccc34)nc2cc1N
InChIInChI=1S/C18H16N4O/c1-2-23-18-11-16-15(10-14(18)19)20-22(21-16)17-9-5-7-12-6-3-4-8-13(12)17/h3-11H,2,19H2,1H3
InChIKeyGAEHODQGMJWBSL-UHFFFAOYSA-N
XLogP3.55
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-yl)-6-ethoxybenzotriazol-5-amine
CID 91684222
4-(5-amino-6-ethoxybenzotriazol-2-yl)benzoic acid
CID 91676249
4-ethoxynaphthalen-2-amine
CID 57115135
lithium;1-ethoxynaphthalene;hydride
CID 174613942
3-ethoxy-5-naphthalen-1-yloxyaniline
CID 80751912
2-methoxy-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 1336954
1-ethoxyphenanthrene
CID 19828992
2-(4-butoxynaphthalen-1-yl)benzotriazole
CID 59307512
(1R)-1-(2-ethoxynaphthalen-1-yl)pentan-1-amine
CID 171213385
1-(2-ethoxyphenyl)pyrazol-3-amine
CID 82396867
iridium;bis(5-methyl-2-naphthalen-1-ylbenzotriazole);2,2,6,6-tetramethylheptane-3,5-dione
CID 25032664
N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine
CID 118429864

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine?
The IUPAC name of 6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine (CID 91676277) is 6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine.
What is the SMILES notation for 6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine?
The canonical SMILES for 6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine is CCOc1cc2nn(-c3cccc4ccccc34)nc2cc1N.
What is the InChIKey of 6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine?
The InChIKey is GAEHODQGMJWBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-23-18-11-16-15(10-14(18)19)20-22(21-16)17-9-5-7-12-6-3-4-8-13(12)17/h3-11H,2,19H2,1H3.
What are the key properties of 6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine?
6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine has a molecular weight of 304.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-naphthalen-1-ylbenzotriazol-5-amine is sourced from PubChem (CID 91676277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).