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874-40-8 | 1,2,4-Triazolo[4,3-b][1,2,4]triazin-7(8H)-one
CAS No: 874-40-8 Catalog No: AG004MD2 MDL No:
Product Description
Catalog Number:
AG004MD2
Chemical Name:
1,2,4-Triazolo[4,3-b][1,2,4]triazin-7(8H)-one
CAS Number:
874-40-8
Molecular Formula:
C4H3N5O
Molecular Weight:
137.0995
IUPAC Name:
8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
InChI:
InChI=1S/C4H3N5O/c10-3-1-6-9-2-5-8-4(9)7-3/h1-2H,(H,7,8,10)
InChI Key:
YZUIRNAESPCPCC-UHFFFAOYSA-N
SMILES:
O=c1cnn2c([nH]1)nnc2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.034g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.102g/mol
Monoisotopic Mass:
137.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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