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112798-22-8 | 3H-Imidazo[4,5-e]-1,2,4-triazin-3-one, 2,5-dihydro-5,6-dimethyl-
CAS No: 112798-22-8 Catalog No: AG0081SH MDL No:
Product Description
Catalog Number:
AG0081SH
Chemical Name:
3H-Imidazo[4,5-e]-1,2,4-triazin-3-one, 2,5-dihydro-5,6-dimethyl-
CAS Number:
112798-22-8
Molecular Formula:
C6H7N5O
Molecular Weight:
165.1527
IUPAC Name:
5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one
InChI:
InChI=1S/C6H7N5O/c1-3-7-4-5(11(3)2)8-6(12)10-9-4/h1-2H3,(H,8,10,12)
InChI Key:
YMDPJPATXPBTGF-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc2c(n1)n(C)c(n2)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.156g/mol
Monoisotopic Mass:
165.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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