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Home > Pyridines > 1422140-09-7
1422140-09-7 | (3aS,7aS)-5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CAS No: 1422140-09-7 Catalog No: AG01DK6Y MDL No:
Product Description
Catalog Number:
AG01DK6Y
Chemical Name:
(3aS,7aS)-5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CAS Number:
1422140-09-7
Molecular Formula:
C12H20N4
Molecular Weight:
220.3140
IUPAC Name:
(3aS,7aS)-5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
InChI:
InChI=1S/C12H20N4/c1-15-7-10(4-14-15)8-16-3-2-11-5-13-6-12(11)9-16/h4,7,11-13H,2-3,5-6,8-9H2,1H3/t11-,12+/m1/s1
InChI Key:
KSGQHELSDCSWGZ-NEPJUHHUSA-N
SMILES:
Cn1ncc(c1)CN1CC[C@H]2[C@H](C1)CNC2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
220.169g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.32g/mol
Monoisotopic Mass:
220.169g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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