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918313-51-6

918313-51-6 | 1H-1,2,3-Triazole, 4-(1-cycloocten-1-yl)-1-[(2S)-2-pyrrolidinylmethyl]-

CAS No: 918313-51-6 Catalog No: AG006GD1 MDL No:

Product Description

Catalog Number:
AG006GD1
Chemical Name:
1H-1,2,3-Triazole, 4-(1-cycloocten-1-yl)-1-[(2S)-2-pyrrolidinylmethyl]-
CAS Number:
918313-51-6
Molecular Formula:
C15H24N4
Molecular Weight:
260.3779
IUPAC Name:
4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole
InChI:
InChI=1S/C15H24N4/c1-2-4-7-13(8-5-3-1)15-12-19(18-17-15)11-14-9-6-10-16-14/h7,12,14,16H,1-6,8-11H2/t14-/m0/s1
InChI Key:
LOGPSFOPXXRKSN-AWEZNQCLSA-N
SMILES:
C1CCCC(=CCC1)c1nnn(c1)C[C@@H]1CCCN1

Properties

Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
260.2g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.385g/mol
Monoisotopic Mass:
260.2g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.6  

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