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1489-03-8 | [1,2,4]Triazolo[1,5-a][1,3,5]triazin-7(1H)-one
CAS No: 1489-03-8 Catalog No: AG001L9O MDL No:MFCD14585451
Product Description
Catalog Number:
AG001L9O
Chemical Name:
[1,2,4]Triazolo[1,5-a][1,3,5]triazin-7(1H)-one
CAS Number:
1489-03-8
Molecular Formula:
C4H3N5O
Molecular Weight:
137.0995
MDL Number:
MFCD14585451
IUPAC Name:
6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
InChI:
InChI=1S/C4H3N5O/c10-4-7-1-5-3-6-2-8-9(3)4/h1-2H,(H,5,6,7,8,10)
InChI Key:
HCUNYVTVKYSWBY-UHFFFAOYSA-N
SMILES:
O=c1ncnc2n1[nH]cn2
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:
-0.4
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