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915924-87-7 molecular structure
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5-(3,4-dimethylphenyl)-3-hydrazinyl-1,2,4-triazine

ChemBase ID: 307421
Molecular Formular: C11H13N5
Molecular Mass: 215.25442
Monoisotopic Mass: 215.11709544
SMILES and InChIs

SMILES:
c1(nc(c2cc(c(cc2)C)C)cnn1)NN
Canonical SMILES:
NNc1nncc(n1)c1ccc(c(c1)C)C
InChI:
InChI=1S/C11H13N5/c1-7-3-4-9(5-8(7)2)10-6-13-16-11(14-10)15-12/h3-6H,12H2,1-2H3,(H,14,15,16)
InChIKey:
TYQWSOXRGLVXPF-UHFFFAOYSA-N

Cite this record

CBID:307421 http://www.chembase.cn/molecule-307421.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(3,4-dimethylphenyl)-3-hydrazinyl-1,2,4-triazine
IUPAC Traditional name
5-(3,4-dimethylphenyl)-3-hydrazinyl-1,2,4-triazine
Synonyms
5-(3,4-dimethylphenyl)-3-hydrazino-1,2,4-triazine
CAS Number
915924-87-7
MDL Number
MFCD08691588

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4015445 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1926749  LogD (pH = 7.4) 2.2002153 
Log P 2.2003126  Molar Refractivity 67.0849 cm3
Polarizability 24.711658 Å3 Polar Surface Area 76.72 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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