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Home > Pyridines > 1422133-53-6
1422133-53-6 | 1-(cyclopropylmethyl)-4-((pyridin-3-ylmethoxy)methyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine
CAS No: 1422133-53-6 Catalog No: AG01DJDA MDL No:
Product Description
Catalog Number:
AG01DJDA
Chemical Name:
1-(cyclopropylmethyl)-4-((pyridin-3-ylmethoxy)methyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine
CAS Number:
1422133-53-6
Molecular Formula:
C16H21N5O
Molecular Weight:
299.3708
IUPAC Name:
1-(cyclopropylmethyl)-4-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
InChI:
InChI=1S/C16H21N5O/c1-2-13(8-17-6-1)10-22-11-14-16-15(5-7-18-14)21(20-19-16)9-12-3-4-12/h1-2,6,8,12,14,18H,3-5,7,9-11H2
InChI Key:
ITDQVOKEYCGKND-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)COCC1NCCc2c1nnn2CC1CC1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.175g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.378g/mol
Monoisotopic Mass:
299.175g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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