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172901-76-7 | 5,6,7,8-TETRAHYDRO-4H-CYCLOPENTA[E]IMIDAZO[1,2-A]PYRAZIN-4-ONE
CAS No: 172901-76-7 Catalog No: AG007CAT MDL No:
Product Description
Catalog Number:
AG007CAT
Chemical Name:
5,6,7,8-TETRAHYDRO-4H-CYCLOPENTA[E]IMIDAZO[1,2-A]PYRAZIN-4-ONE
CAS Number:
172901-76-7
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
IUPAC Name:
1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-8-one
InChI:
InChI=1S/C9H9N3O/c13-9-8-10-4-5-12(8)7-3-1-2-6(7)11-9/h4-5H,1-3H2,(H,11,13)
InChI Key:
KCWJNDFIQIVNJT-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2CCCc2n2c1ncc2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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