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

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

CAS No.:
2060060-60-6
Catalog Number:
AG01C0CW
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
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Product Description
Catalog Number:
AG01C0CW
Chemical Name:
7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepin-4-one
CAS Number:
2060060-60-6
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD30497934
IUPAC Name:
7,7-dimethyl-1,5,6,8-tetrahydropyrazolo[4,3-c]azepin-4-one
InChI:
InChI=1S/C9H13N3O/c1-9(2)3-7-6(4-11-12-7)8(13)10-5-9/h4H,3,5H2,1-2H3,(H,10,13)(H,11,12)
InChI Key:
OWGZQLBPFZABQE-UHFFFAOYSA-N
SMILES:
O=C1NCC(Cc2c1cn[nH]2)(C)C
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties