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1245782-72-2 | [1,2,3]Triazolo[1,5-a]pyrazine, 4,5,6,7-tetrahydro-3-phenyl-, hydrochloride (1:1)
CAS No: 1245782-72-2 Catalog No: AG000MEJ MDL No:MFCD16883077
Product Description
Catalog Number:
AG000MEJ
Chemical Name:
[1,2,3]Triazolo[1,5-a]pyrazine, 4,5,6,7-tetrahydro-3-phenyl-, hydrochloride (1:1)
CAS Number:
1245782-72-2
Molecular Formula:
C11H13ClN4
Molecular Weight:
236.7007
MDL Number:
MFCD16883077
IUPAC Name:
3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine;hydrochloride
InChI:
InChI=1S/C11H12N4.ClH/c1-2-4-9(5-3-1)11-10-8-12-6-7-15(10)14-13-11;/h1-5,12H,6-8H2;1H
InChI Key:
VIPHMUACPHIUCP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nnn2c1CNCC2.Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.703g/mol
Monoisotopic Mass:
236.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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