Home Other Building Blocks 1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepin-4-one

1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepin-4-one

CAS No.:
1525432-27-2
Catalog Number:
AG01C53C
Molecular Formula:
C7H9N3O
Molecular Weight:
151.1659
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Product Description
Catalog Number:
AG01C53C
Chemical Name:
1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepin-4-one
CAS Number:
1525432-27-2
Molecular Formula:
C7H9N3O
Molecular Weight:
151.1659
MDL Number:
MFCD27952468
IUPAC Name:
5,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-4-one
InChI:
InChI=1S/C7H9N3O/c11-7-5-4-9-10-6(5)2-1-3-8-7/h4H,1-3H2,(H,8,11)(H,9,10)
InChI Key:
LQCIUVMGMAXANC-UHFFFAOYSA-N
SMILES:
O=C1NCCCc2c1cn[nH]2
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.075g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
151.169g/mol
Monoisotopic Mass:
151.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties