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85939-75-9 | Pyrazolo[5,1-c][1,2,4]triazine, 8-methyl-3,7-diphenyl-
CAS No: 85939-75-9 Catalog No: AG004QLR MDL No:
Product Description
Catalog Number:
AG004QLR
Chemical Name:
Pyrazolo[5,1-c][1,2,4]triazine, 8-methyl-3,7-diphenyl-
CAS Number:
85939-75-9
Molecular Formula:
C18H14N4
Molecular Weight:
286.3306
IUPAC Name:
8-methyl-3,7-diphenylpyrazolo[5,1-c][1,2,4]triazine
InChI:
InChI=1S/C18H14N4/c1-13-17(15-10-6-3-7-11-15)21-22-12-16(19-20-18(13)22)14-8-4-2-5-9-14/h2-12H,1H3
InChI Key:
ZMBKOKDWGCGKPJ-UHFFFAOYSA-N
SMILES:
Cc1c(nn2c1nnc(c2)c1ccccc1)c1ccccc1
NSC Number:
697926
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.338g/mol
Monoisotopic Mass:
286.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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