Home Other Building Blocks 3-(4-CHLOROPHENYL)-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE

3-(4-CHLOROPHENYL)-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE

CAS No.:
1250142-90-5
Catalog Number:
AG01DTCC
Molecular Formula:
C11H11ClN4
Molecular Weight:
234.6848
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Product Description
Catalog Number:
AG01DTCC
Chemical Name:
3-(4-CHLOROPHENYL)-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE
CAS Number:
1250142-90-5
Molecular Formula:
C11H11ClN4
Molecular Weight:
234.6848
MDL Number:
MFCD16807180
IUPAC Name:
3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
InChI:
InChI=1S/C11H11ClN4/c12-9-3-1-8(2-4-9)11-15-14-10-7-13-5-6-16(10)11/h1-4,13H,5-7H2
InChI Key:
YZFSAVBEAKTNOO-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nnc2n1CCNC2
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.067g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.687g/mol
Monoisotopic Mass:
234.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties