N-[2-(2,6-Dimethyl-1-piperidinyl)ethyl]-7,8-dihydro-6H-indeno[5,6-e][1,2,4]triazin-3-amine 1-Oxide

HCID 11951113
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Basic information

Standard SMILES
CC1CCCC(C)N1CCNc1nc2cc3c(cc2[n+]([O-])n1)CCC3
InChIKey
NQTOTPIWLQBEEU-UHFFFAOYSA-N
Molecular formula
C19H27N5O
Average molar mass
341.5 g/mol
Monoisotopic mass
341.2215605

Names & identifiers

Preferred name
N-[2-(2,6-Dimethyl-1-piperidinyl)ethyl]-7,8-dihydro-6H-indeno[5,6-e][1,2,4]triazin-3-amine 1-Oxide
IUPAC
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-oxido-7,8-dihydro-6H-cyclopenta[g][1,2,4]benzotriazin-1-ium-3-amine

Names & synonyms

SCHEMBL2245311NQTOTPIWLQBEEU-UHFFFAOYSA-NN-[2-(2,6-Dimethyl-1-piperidinyl)ethyl]-7,8-dihydro-6H-indeno[5,6-e][1,2,4]triazin-3-amine 1-Oxide

Database identifiers

PubChem CID
11951113

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
66.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
25

Related reactions

4 records
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Compound notes

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