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79441-92-2 | 4,9,10-TRIPHENYLPYRIDAZINO[3',4':3,4]PYRAZOLO[5,1-C][1,2,4]TRIAZINE
CAS No: 79441-92-2 Catalog No: AG005K3C MDL No:
Product Description
Catalog Number:
AG005K3C
Chemical Name:
4,9,10-TRIPHENYLPYRIDAZINO[3',4':3,4]PYRAZOLO[5,1-C][1,2,4]TRIAZINE
CAS Number:
79441-92-2
Molecular Formula:
C25H16N6
Molecular Weight:
400.4347
IUPAC Name:
6,12,13-triphenyl-3,4,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
InChI:
InChI=1S/C25H16N6/c1-4-10-17(11-5-1)20-16-26-29-25-22-21(18-12-6-2-7-13-18)23(19-14-8-3-9-15-19)27-28-24(22)30-31(20)25/h1-16H
InChI Key:
KJPUGCZAQOOLMU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cnnc2n1nc1c2c(c2ccccc2)c(nn1)c1ccccc1
UNII:
9N2BLV59GJ
NSC Number:
355170
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.144g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.445g/mol
Monoisotopic Mass:
400.144g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Pyridazine derivatives and related compounds. Part 13: Synthesis and antimicrobial activity of some pyridazino[3',4':3,4]pyrazolo[5,1-c]-1,2,4-triazines. | Bioorganic & medicinal chemistry letters 20041004 |
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