3-(2-Hydroxyethyl)-5-(1,2,4-triazol-1-ylmethyl)-1h-indol-2-carboxylic acid methyl ester

HCID 11630801
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1[nH]c2ccc(Cn3cncn3)cc2c1CCO
InChIKey
QABZKEVXPKWPHW-UHFFFAOYSA-N
Molecular formula
C15H16N4O3
Average molar mass
300.31 g/mol

Names & identifiers

Preferred name
3-(2-Hydroxyethyl)-5-(1,2,4-triazol-1-ylmethyl)-1h-indol-2-carboxylic acid methyl ester
IUPAC
methyl 3-(2-hydroxyethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylate

Names & synonyms

SCHEMBL5409937QABZKEVXPKWPHW-UHFFFAOYSA-N3-(2-hydroxyethyl)-5-(1,2,4-triazol-1-ylmethyl)-1h-indol-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
11630801

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
93 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
22

Related reactions

2 records
New reaction record

Linked notes

Loading…