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Home > Pyridines > 1422066-72-5
1422066-72-5 | (2S,3aR,7aS)-2-((1H-1,2,4-triazol-1-yl)methyl)-1-isopropyloctahydro-1H-pyrrolo[3,2-c]pyridine
CAS No: 1422066-72-5 Catalog No: AG01DHMC MDL No:
Product Description
Catalog Number:
AG01DHMC
Chemical Name:
(2S,3aR,7aS)-2-((1H-1,2,4-triazol-1-yl)methyl)-1-isopropyloctahydro-1H-pyrrolo[3,2-c]pyridine
CAS Number:
1422066-72-5
Molecular Formula:
C13H23N5
Molecular Weight:
249.3552
IUPAC Name:
(2S,3aR,7aS)-1-propan-2-yl-2-(1,2,4-triazol-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
InChI:
InChI=1S/C13H23N5/c1-10(2)18-12(7-17-9-15-8-16-17)5-11-6-14-4-3-13(11)18/h8-14H,3-7H2,1-2H3/t11-,12+,13+/m1/s1
InChI Key:
BZWGVEAQIASYPC-AGIUHOORSA-N
SMILES:
CC(N1[C@@H](C[C@H]2[C@@H]1CCNC2)Cn1cncn1)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
249.195g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.362g/mol
Monoisotopic Mass:
249.195g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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