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16315-16-5 | 4H-Indazol-4-one, 1,5,6,7-tetrahydro-3,6,6-trimethyl-
CAS No: 16315-16-5 Catalog No: AG001TTQ MDL No:MFCD00474387
Product Description
Catalog Number:
AG001TTQ
Chemical Name:
4H-Indazol-4-one, 1,5,6,7-tetrahydro-3,6,6-trimethyl-
CAS Number:
16315-16-5
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD00474387
IUPAC Name:
3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-one
InChI:
InChI=1S/C10H14N2O/c1-6-9-7(12-11-6)4-10(2,3)5-8(9)13/h4-5H2,1-3H3,(H,11,12)
InChI Key:
HPTQHXKWSUVNNR-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Cc2c1c(C)n[nH]2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): synthesis and biological evaluation. | Bioorganic & medicinal chemistry 20090901 |
| Theoretical studies on the tautomerism of 1,5,6,7-tetrahydro-4H-indazol-4-ones. | Molecules (Basel, Switzerland) 20060612 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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