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1788589-62-7

1788589-62-7 | "3-(piperazin-1-yl)-6-(1H-1,2,4-triazol-1-yl)pyridazine"

CAS No: 1788589-62-7 Catalog No: AG01FLT2 MDL No:MFCD28369863

Product Description

Catalog Number:
AG01FLT2
Chemical Name:
"3-(piperazin-1-yl)-6-(1H-1,2,4-triazol-1-yl)pyridazine"
CAS Number:
1788589-62-7
Molecular Formula:
C10H13N7
Molecular Weight:
231.2571
MDL Number:
MFCD28369863
IUPAC Name:
3-piperazin-1-yl-6-(1,2,4-triazol-1-yl)pyridazine
InChI:
InChI=1S/C10H13N7/c1-2-10(17-8-12-7-13-17)15-14-9(1)16-5-3-11-4-6-16/h1-2,7-8,11H,3-6H2
InChI Key:
XVNUCMHXUMFAGK-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1ccc(nn1)n1ncnc1

Properties

Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.123g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.263g/mol
Monoisotopic Mass:
231.123g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

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