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21087-57-0 | 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylamino)-6-(1-methylethyl)-
CAS No: 21087-57-0 Catalog No: AG002L0Q MDL No:
Product Description
Catalog Number:
AG002L0Q
Chemical Name:
1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylamino)-6-(1-methylethyl)-
CAS Number:
21087-57-0
Molecular Formula:
C7H13N5O
Molecular Weight:
183.2110
IUPAC Name:
4-amino-3-(methylamino)-6-propan-2-yl-1,2,4-triazin-5-one
InChI:
InChI=1S/C7H13N5O/c1-4(2)5-6(13)12(8)7(9-3)11-10-5/h4H,8H2,1-3H3,(H,9,11)
InChI Key:
HITXJQNQGNDOJQ-UHFFFAOYSA-N
SMILES:
CNc1nnc(c(=O)n1N)C(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.112g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.215g/mol
Monoisotopic Mass:
183.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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