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90-16-4 | Benzo[d][1,2,3]triazin-4(3H)-one
CAS No: 90-16-4 Catalog No: AG003IHI MDL No:MFCD00052387
Product Description
Catalog Number:
AG003IHI
Chemical Name:
Benzo[d][1,2,3]triazin-4(3H)-one
CAS Number:
90-16-4
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
MDL Number:
MFCD00052387
IUPAC Name:
3H-1,2,3-benzotriazin-4-one
InChI:
InChI=1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11)
InChI Key:
DMSSTTLDFWKBSX-UHFFFAOYSA-N
SMILES:
O=c1[nH]nnc2c1cccc2
EC Number:
201-971-5
UNII:
FIE1VTY749
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.137g/mol
Monoisotopic Mass:
147.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacological investigation of azaphthalazinone human histamine H(1) receptor antagonists. | Bioorganic & medicinal chemistry 20121015 |
| Study of energetics and structure of 1,2,3-benzotriazin-4(3H)-one and its 1H and enol tautomers. | The journal of physical chemistry. B 20110526 |
| Analogues of 4-[(7-Bromo-2-methyl-4-oxo-3H-quinazolin-6-yl)methylprop-2-ynylamino]-N-(3-pyridylmethyl)benzamide (CB-30865) as potent inhibitors of nicotinamide phosphoribosyltransferase (Nampt). | Journal of medicinal chemistry 20101223 |
| Photodegradation of organophosphorus insecticides - investigations of products and their toxicity using gas chromatography-mass spectrometry and AChE-thermal lens spectrometric bioassay. | Chemosphere 20070201 |
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