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Home > Pyridines > 1422138-41-7
1422138-41-7 | (2S,3aR,7aS)-2-((1H-1,2,4-triazol-1-yl)methyl)-1-(cyclopropylmethyl)octahydro-1H-pyrrolo[3,2-c]pyridine
CAS No: 1422138-41-7 Catalog No: AG01DI1C MDL No:
Product Description
Catalog Number:
AG01DI1C
Chemical Name:
(2S,3aR,7aS)-2-((1H-1,2,4-triazol-1-yl)methyl)-1-(cyclopropylmethyl)octahydro-1H-pyrrolo[3,2-c]pyridine
CAS Number:
1422138-41-7
Molecular Formula:
C14H23N5
Molecular Weight:
261.3659
IUPAC Name:
(2S,3aR,7aS)-1-(cyclopropylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
InChI:
InChI=1S/C14H23N5/c1-2-11(1)7-19-13(8-18-10-16-9-17-18)5-12-6-15-4-3-14(12)19/h9-15H,1-8H2/t12-,13+,14+/m1/s1
InChI Key:
BEEASDCYHIOUQS-RDBSUJKOSA-N
SMILES:
C1NC[C@@H]2[C@H](C1)N(CC1CC1)[C@@H](C2)Cn1cncn1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
261.195g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.373g/mol
Monoisotopic Mass:
261.195g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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