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41932-99-4 molecular structure
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4-chloro-5-(1-methylhydrazin-1-yl)-2-phenyl-2,3-dihydropyridazin-3-one

ChemBase ID: 79260
Molecular Formular: C11H11ClN4O
Molecular Mass: 250.68424
Monoisotopic Mass: 250.06213867
SMILES and InChIs

SMILES:
n1(c2ccccc2)c(=O)c(c(cn1)N(N)C)Cl
Canonical SMILES:
CN(c1cnn(c(=O)c1Cl)c1ccccc1)N
InChI:
InChI=1S/C11H11ClN4O/c1-15(13)9-7-14-16(11(17)10(9)12)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChIKey:
LBPXPSALZXBRGR-UHFFFAOYSA-N

Cite this record

CBID:79260 http://www.chembase.cn/molecule-79260.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-5-(1-methylhydrazin-1-yl)-2-phenyl-2,3-dihydropyridazin-3-one
IUPAC Traditional name
4-chloro-5-(1-methylhydrazin-1-yl)-2-phenylpyridazin-3-one
Synonyms
4-chloro-5-(1-methylhydrazino)-2-phenyl-2,3-dihydropyridazin-3-one
CAS Number
41932-99-4
MDL Number
MFCD00052034
PubChem SID
162044023
PubChem CID
376686

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR21713 external link Add to cart Please log in.
Data Source Data ID
PubChem 376686 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7142229  LogD (pH = 7.4) 0.86065423 
Log P 0.8628808  Molar Refractivity 68.3101 cm3
Polarizability 24.917597 Å3 Polar Surface Area 61.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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