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117024-64-3 | 2H-Cyclopenta[3,4]pyrazolo[1,5-a]pyrazine (9CI)
CAS No: 117024-64-3 Catalog No: AG000DLE MDL No:
Product Description
Catalog Number:
AG000DLE
Chemical Name:
2H-Cyclopenta[3,4]pyrazolo[1,5-a]pyrazine (9CI)
CAS Number:
117024-64-3
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
IUPAC Name:
7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,6,9-pentaene
InChI:
InChI=1S/C9H7N3/c1-2-7-8(3-1)11-12-5-4-10-6-9(7)12/h1-6,10H
InChI Key:
WKNAONZPHIDCPJ-UHFFFAOYSA-N
SMILES:
c1[nH]cc2n(c1)nc1c2ccc1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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