[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine

C18H20N4O — CID 94937910

IUPAC[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine
SMILESCCOc1ccccc1-n1nnc(CN)c1Cc1ccccc1
InChIInChI=1S/C18H20N4O/c1-2-23-18-11-7-6-10-16(18)22-17(15(13-19)20-21-22)12-14-8-4-3-5-9-14/h3-11H,2,12-13,19H2,1H3
InChIKeyUQIRJGMDFVEESX-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.72
Rot. Bonds6

About [5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine

[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine (PubChem CID 94937910) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is [5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine
PubChem CID94937910
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine
SMILESCCOc1ccccc1-n1nnc(CN)c1Cc1ccccc1
InChIInChI=1S/C18H20N4O/c1-2-23-18-11-7-6-10-16(18)22-17(15(13-19)20-21-22)12-14-8-4-3-5-9-14/h3-11H,2,12-13,19H2,1H3
InChIKeyUQIRJGMDFVEESX-UHFFFAOYSA-N
XLogP2.72
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine 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

[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198294
[1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82197503
(5-benzyl-1-ethyltriazol-4-yl)methanamine
CID 82207476
[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine
CID 82199485
4-[4-(aminomethyl)-5-benzyltriazol-1-yl]-N,N-dimethylaniline
CID 94939643
1-(2-ethoxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 53335498
2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
CID 105472466
[1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760268
[5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol
CID 82197444
(1,5-dibenzyltriazol-4-yl)methanamine
CID 82203152
[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196549
[1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 94939085

Frequently Asked Questions

What is the IUPAC name of [5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine (CID 94937910) is [5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine is CCOc1ccccc1-n1nnc(CN)c1Cc1ccccc1.
What is the InChIKey of [5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine?
The InChIKey is UQIRJGMDFVEESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-23-18-11-7-6-10-16(18)22-17(15(13-19)20-21-22)12-14-8-4-3-5-9-14/h3-11H,2,12-13,19H2,1H3.
What are the key properties of [5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine?
[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine has a molecular weight of 308.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 94937910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).