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Home > Pyridines > 1422138-49-5
1422138-49-5 | 4-((benzyloxy)methyl)-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine
CAS No: 1422138-49-5 Catalog No: AG01DJCF MDL No:
Product Description
Catalog Number:
AG01DJCF
Chemical Name:
4-((benzyloxy)methyl)-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine
CAS Number:
1422138-49-5
Molecular Formula:
C17H22N4O
Molecular Weight:
298.3828
IUPAC Name:
1-(cyclopropylmethyl)-4-(phenylmethoxymethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
InChI:
InChI=1S/C17H22N4O/c1-2-4-14(5-3-1)11-22-12-15-17-16(8-9-18-15)21(20-19-17)10-13-6-7-13/h1-5,13,15,18H,6-12H2
InChI Key:
WGBJRDKPXGBEAF-UHFFFAOYSA-N
SMILES:
O(Cc1ccccc1)CC1NCCc2c1nnn2CC1CC1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.39g/mol
Monoisotopic Mass:
298.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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