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188688-83-7 | 1,2,4-Triazin-3(2H)-one, 6-methyl-5-(phenylamino)-
CAS No: 188688-83-7 Catalog No: AG002H4V MDL No:
Product Description
Catalog Number:
AG002H4V
Chemical Name:
1,2,4-Triazin-3(2H)-one, 6-methyl-5-(phenylamino)-
CAS Number:
188688-83-7
Molecular Formula:
C10H10N4O
Molecular Weight:
202.2126
IUPAC Name:
5-anilino-6-methyl-2H-1,2,4-triazin-3-one
InChI:
InChI=1S/C10H10N4O/c1-7-9(12-10(15)14-13-7)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,14,15)
InChI Key:
FGDICYZSQLQDQC-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(=O)nc1Nc1ccccc1
Properties
Complexity:
315
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:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.217g/mol
Monoisotopic Mass:
202.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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