Name: Name:1,7,7-trimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepin-4-one
Brand: Angene
SKU: AG01BR24
Rating: 90 (10 reviews)

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

CAS No.:

2059988-24-6

Catalog Number:

AG01BR24

Molecular Formula:

C10H15N3O

Molecular Weight:

193.2456

Catalog Number:

AG01BR24

Chemical Name:

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

CAS Number:

2059988-24-6

Molecular Formula:

C10H15N3O

Molecular Weight:

193.2456

MDL Number:

MFCD30502189

IUPAC Name:

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

InChI:

InChI=1S/C10H15N3O/c1-10(2)4-8-7(5-12-13(8)3)9(14)11-6-10/h5H,4,6H2,1-3H3,(H,11,14)

InChI Key:

AKVXTAQQDLKTSO-UHFFFAOYSA-N

SMILES:

Cn1ncc2c1CC(C)(C)CNC2=O

Complexity:

252

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.25g/mol

Monoisotopic Mass:

193.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8