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Home > Pyridines > 1422140-30-4
1422140-30-4 | (2S,3aR,7aS)-2-((1H-1,2,4-triazol-1-yl)methyl)-1-methyloctahydro-1H-pyrrolo[3,2-c]pyridine
CAS No: 1422140-30-4 Catalog No: AG01DK7Y MDL No:
Product Description
Catalog Number:
AG01DK7Y
Chemical Name:
(2S,3aR,7aS)-2-((1H-1,2,4-triazol-1-yl)methyl)-1-methyloctahydro-1H-pyrrolo[3,2-c]pyridine
CAS Number:
1422140-30-4
Molecular Formula:
C11H19N5
Molecular Weight:
221.3021
IUPAC Name:
(2S,3aR,7aS)-1-methyl-2-(1,2,4-triazol-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
InChI:
InChI=1S/C11H19N5/c1-15-10(6-16-8-13-7-14-16)4-9-5-12-3-2-11(9)15/h7-12H,2-6H2,1H3/t9-,10+,11+/m1/s1
InChI Key:
FTYAKQRDRKAWMO-VWYCJHECSA-N
SMILES:
CN1[C@@H](C[C@H]2[C@@H]1CCNC2)Cn1cncn1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
221.164g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.308g/mol
Monoisotopic Mass:
221.164g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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