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160752-44-3 | 1H-1,2,3-Triazolo[4,5-c]pyridine, 4,5,6,7-tetrahydro-1-(phenylmethyl)-
CAS No: 160752-44-3 Catalog No: AG001VBB MDL No:
Product Description
Catalog Number:
AG001VBB
Chemical Name:
1H-1,2,3-Triazolo[4,5-c]pyridine, 4,5,6,7-tetrahydro-1-(phenylmethyl)-
CAS Number:
160752-44-3
Molecular Formula:
C12H14N4
Molecular Weight:
214.2664
IUPAC Name:
1-benzyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
InChI:
InChI=1S/C12H14N4/c1-2-4-10(5-3-1)9-16-12-6-7-13-8-11(12)14-15-16/h1-5,13H,6-9H2
InChI Key:
FILRMRMYNOIIMO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cn1nnc2c1CCNC2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.272g/mol
Monoisotopic Mass:
214.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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