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89055-00-5 | Pyrido[3,4-d]-1,2,3-triazin-4(3H)-one, 6-methoxy-3-methyl-
CAS No: 89055-00-5 Catalog No: AG0041DK MDL No:
Product Description
Catalog Number:
AG0041DK
Chemical Name:
Pyrido[3,4-d]-1,2,3-triazin-4(3H)-one, 6-methoxy-3-methyl-
CAS Number:
89055-00-5
Molecular Formula:
C8H8N4O2
Molecular Weight:
192.1747
IUPAC Name:
6-methoxy-3-methylpyrido[3,4-d]triazin-4-one
InChI:
InChI=1S/C8H8N4O2/c1-12-8(13)5-3-7(14-2)9-4-6(5)10-11-12/h3-4H,1-2H3
InChI Key:
IGKSJQFSTNROST-UHFFFAOYSA-N
SMILES:
COc1ncc2c(c1)c(=O)n(nn2)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.178g/mol
Monoisotopic Mass:
192.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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