CAS: 148893-09-8
Nom: [dimethylamino-(3-oxidotriazolo[4,5-b]pyridin-3-ium-1-yl)methylidene]-dimethylazanium
SMILES:
CN(C)C(=[N+](C)C)N1C2=C(N=CC=C2)[N+](=N1)[O-]Molecular Processing
Molecular formula
C10H15N6O+
Molecular weight
235.27
Exact mass
235.1302
XLogP
-0.9
TPSA
63.9
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
62.69
Supplementary Information
InChIKey: PDKXJKWLFFZPPF-UHFFFAOYSA-N
Synonymes
N,N,N',N'-Tetramethyl-1-(3-oxidotriazolo[4,5-b]pyridine-1,3-diium-1-ylidene)methanediamine148893-09-8W9CE85CN9GSCHEMBL369501SCHEMBL369502SCHEMBL12990542SCHEMBL29364083SCHEMBL31228101PDKXJKWLFFZPPF-UHFFFAOYSA-NCS-01838561-[bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxide1H-1,2,3-Triazolo[4,5-b]pyridinium, 1-[bis(dimethylamino)methylene]-, 3-oxide1-[bis(dimethylamino)methylidene]-1H-1-[1,2,3]triazolo[4,5-b]pyridin-3-ium-1-ylium-3-olate1-[bis(dimethylamino)methylidene]-1H-1lambda-[1,2,3]triazolo[4,5-b]pyridin-3-ium-1-ylium-3-olateN pound notN pound notN inverted exclamation mark+/- pound notN'-Tetramethyl-1-(3-oxidotriazolo[4,5-b]pyridine-1,3-diium-1-ylidene)methanediamine
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