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Home > Pyridines > 1422065-52-8
1422065-52-8 | 1-methyl-4-((pyridin-3-ylmethoxy)methyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine
CAS No: 1422065-52-8 Catalog No: AG01DHY3 MDL No:
Product Description
Catalog Number:
AG01DHY3
Chemical Name:
1-methyl-4-((pyridin-3-ylmethoxy)methyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine
CAS Number:
1422065-52-8
Molecular Formula:
C13H17N5O
Molecular Weight:
259.3070
IUPAC Name:
1-methyl-4-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
InChI:
InChI=1S/C13H17N5O/c1-18-12-4-6-15-11(13(12)16-17-18)9-19-8-10-3-2-5-14-7-10/h2-3,5,7,11,15H,4,6,8-9H2,1H3
InChI Key:
YNIJUJRMANVLHO-UHFFFAOYSA-N
SMILES:
Cn1nnc2c1CCNC2COCc1cccnc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.313g/mol
Monoisotopic Mass:
259.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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