[4-Benzyl-5-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl)-4H-[1,2,4]triazol-3-ylmethyl]-(2-methoxy-ethyl)-amine

HCID 10409077
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Basic information

Standard SMILES
COCCNCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1
InChIKey
JCHXIGNAOIHLPB-UHFFFAOYSA-N
Molecular formula
C23H30N6O
Average molar mass
406.5 g/mol

Names & identifiers

Preferred name
[4-Benzyl-5-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl)-4H-[1,2,4]triazol-3-ylmethyl]-(2-methoxy-ethyl)-amine
IUPAC
N-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]-2-methoxyethanamine

Names & synonyms

SCHEMBL5213393JCHXIGNAOIHLPB-UHFFFAOYSA-N[4-Benzyl-5-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl)-4H-[1,2,4]triazol-3-ylmethyl]-(2-methoxy-ethyl)-amine

Database identifiers

PubChem CID
10409077

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
68.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
30

Related reactions

2 records
New reaction record

Linked notes

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