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294662-04-7 | 1H-Imidazo[1,2-a]pyrazolo[4,3-e]pyrazine (9CI)
CAS No: 294662-04-7 Catalog No: AG002YH4 MDL No:
Product Description
Catalog Number:
AG002YH4
Chemical Name:
1H-Imidazo[1,2-a]pyrazolo[4,3-e]pyrazine (9CI)
CAS Number:
294662-04-7
Molecular Formula:
C7H5N5
Molecular Weight:
159.1481
IUPAC Name:
1,3,4,7,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
InChI:
InChI=1S/C7H5N5/c1-2-12-6(8-1)4-9-5-3-10-11-7(5)12/h1-4H,(H,10,11)
InChI Key:
QVHQYGDDHGNZJX-UHFFFAOYSA-N
SMILES:
n1cc2c([nH]1)n1ccnc1cn2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.152g/mol
Monoisotopic Mass:
159.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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