4-(5,7-Dipropyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-piperazinecarboxylic acid, ethyl ester

HCID 13686014
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Basic information

Standard SMILES
CCCc1cc(CCC)n2nc(N3CCN(C(=O)OCC)CC3)nc2n1
InChIKey
SCYBVJXUOOBIGS-UHFFFAOYSA-N
Molecular formula
C18H28N6O2
Average molar mass
360.5 g/mol
Monoisotopic mass
360.22737416

Names & identifiers

Preferred name
4-(5,7-Dipropyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-piperazinecarboxylic acid, ethyl ester
IUPAC
ethyl 4-(5,7-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazine-1-carboxylate

Names & synonyms

SCYBVJXUOOBIGS-UHFFFAOYSA-N4-(5,7-Dipropyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-piperazinecarboxylic acid, ethyl ester

Database identifiers

PubChem CID
13686014

Properties

Computed structural properties

XLogP
3
Topological polar surface area
75.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
26

Related reactions

1 records
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Compound notes

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