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121447-39-0 | 1H,7H-Pyrazolo[1,2-a][1,2,4]triazole-6-carboxylic acid, 3-amino-1,7-diimino-
CAS No: 121447-39-0 Catalog No: AG001509 MDL No:
Product Description
Catalog Number:
AG001509
Chemical Name:
1H,7H-Pyrazolo[1,2-a][1,2,4]triazole-6-carboxylic acid, 3-amino-1,7-diimino-
CAS Number:
121447-39-0
Molecular Formula:
C6H6N6O2
Molecular Weight:
194.1508
IUPAC Name:
1-amino-3,7-diiminopyrazolo[1,2-a][1,2,4]triazole-6-carboxylic acid
InChI:
InChI=1S/C6H6N6O2/c7-3-2(4(13)14)1-11-5(8)10-6(9)12(3)11/h1,7H,(H,13,14)(H3,8,9,10)
InChI Key:
XBVFWMZDDJOCGZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn2n(c1=N)c(=N)nc2N
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
194.154g/mol
Monoisotopic Mass:
194.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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