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154689-18-6 | 1H-Cyclopent[e]imidazo[1,5-a]pyrazine(9CI)
CAS No: 154689-18-6 Catalog No: AG007XFU MDL No:
Product Description
Catalog Number:
AG007XFU
Chemical Name:
1H-Cyclopent[e]imidazo[1,5-a]pyrazine(9CI)
CAS Number:
154689-18-6
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
IUPAC Name:
1,7,11-triazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,10-pentaene
InChI:
InChI=1S/C9H7N3/c1-2-8-9(3-1)12-6-10-4-7(12)5-11-8/h1-5H,6H2
InChI Key:
UCVAZMBAYOXQTC-UHFFFAOYSA-N
SMILES:
c1cc2c(c1)n1CN=Cc1cn2
Properties
Complexity:
214
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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