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Home > Pyridines > 1422059-81-1
1422059-81-1 | 4-((benzyloxy)methyl)-1-ethyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine
CAS No: 1422059-81-1 Catalog No: AG01DIGD MDL No:
Product Description
Catalog Number:
AG01DIGD
Chemical Name:
4-((benzyloxy)methyl)-1-ethyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine
CAS Number:
1422059-81-1
Molecular Formula:
C15H20N4O
Molecular Weight:
272.3455
IUPAC Name:
1-ethyl-4-(phenylmethoxymethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
InChI:
InChI=1S/C15H20N4O/c1-2-19-14-8-9-16-13(15(14)17-18-19)11-20-10-12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3
InChI Key:
RLXQATJMZYQSHG-UHFFFAOYSA-N
SMILES:
CCn1nnc2c1CCNC2COCc1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.164g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.352g/mol
Monoisotopic Mass:
272.164g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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