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137257-08-0 | 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-phenyl-
CAS No: 137257-08-0 Catalog No: AG00130D MDL No:
Product Description
Catalog Number:
AG00130D
Chemical Name:
1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-phenyl-
CAS Number:
137257-08-0
Molecular Formula:
C10H10N4O
Molecular Weight:
202.2126
IUPAC Name:
4-amino-6-methyl-3-phenyl-1,2,4-triazin-5-one
InChI:
InChI=1S/C10H10N4O/c1-7-10(15)14(11)9(13-12-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3
InChI Key:
YRDDHFGXIOPRLB-UHFFFAOYSA-N
SMILES:
Cc1nnc(n(c1=O)N)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.217g/mol
Monoisotopic Mass:
202.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one (metamitron) and 4-amino-6-methyl-3-phenyl-1,2,4-triazin-5(4H)-one (isometamitron). | Acta crystallographica. Section C, Crystal structure communications 20070401 |
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