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89730-54-1 | 1,2,4-Triazin-5(2H)-one, 6-amino-3-(4-methylphenyl)-
CAS No: 89730-54-1 Catalog No: AG00428R MDL No:
Product Description
Catalog Number:
AG00428R
Chemical Name:
1,2,4-Triazin-5(2H)-one, 6-amino-3-(4-methylphenyl)-
CAS Number:
89730-54-1
Molecular Formula:
C10H10N4O
Molecular Weight:
202.2126
IUPAC Name:
6-amino-3-(4-methylphenyl)-4H-1,2,4-triazin-5-one
InChI:
InChI=1S/C10H10N4O/c1-6-2-4-7(5-3-6)9-12-10(15)8(11)13-14-9/h2-5H,1H3,(H2,11,13)(H,12,14,15)
InChI Key:
IHKQFAPLXMJIRR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1[nH]nc(c(=O)n1)N
Properties
Complexity:
326
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.217g/mol
Monoisotopic Mass:
202.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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