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685551-55-7 molecular structure
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5-[(2-hydroxyphenyl)amino]-6-methyl-2,3-dihydro-1,2,4-triazin-3-one

ChemBase ID: 312344
Molecular Formular: C10H10N4O2
Molecular Mass: 218.212
Monoisotopic Mass: 218.08037558
SMILES and InChIs

SMILES:
n1c(c(n[nH]c1=O)C)Nc1c(O)cccc1
Canonical SMILES:
Oc1ccccc1Nc1nc(=O)[nH]nc1C
InChI:
InChI=1S/C10H10N4O2/c1-6-9(12-10(16)14-13-6)11-7-4-2-3-5-8(7)15/h2-5,15H,1H3,(H2,11,12,14,16)
InChIKey:
ZJSAINOYLVWGGA-UHFFFAOYSA-N

Cite this record

CBID:312344 http://www.chembase.cn/molecule-312344.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[(2-hydroxyphenyl)amino]-6-methyl-2,3-dihydro-1,2,4-triazin-3-one
IUPAC Traditional name
5-[(2-hydroxyphenyl)amino]-6-methyl-2H-1,2,4-triazin-3-one
Synonyms
5-[(2-hydroxyphenyl)amino]-6-methyl-1,2,4-triazin-3(2H)-one
CAS Number
685551-55-7
MDL Number
MFCD20503048

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.63348174  LogD (pH = 7.4) 0.6273452 
Log P 0.6335653  Molar Refractivity 58.8047 cm3
Polarizability 21.418228 Å3 Polar Surface Area 86.08 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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