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175204-70-3 molecular structure
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4-hydrazinyl-6-(pyridin-3-yl)-1,3,5-triazin-2-amine

ChemBase ID: 84447
Molecular Formular: C8H9N7
Molecular Mass: 203.20396
Monoisotopic Mass: 203.09194332
SMILES and InChIs

SMILES:
n1c(nc(nc1NN)N)c1cnccc1
Canonical SMILES:
NNc1nc(N)nc(n1)c1cccnc1
InChI:
InChI=1S/C8H9N7/c9-7-12-6(13-8(14-7)15-10)5-2-1-3-11-4-5/h1-4H,10H2,(H3,9,12,13,14,15)
InChIKey:
PIQSNFQPEFDFCN-UHFFFAOYSA-N

Cite this record

CBID:84447 http://www.chembase.cn/molecule-84447.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-hydrazinyl-6-(pyridin-3-yl)-1,3,5-triazin-2-amine
IUPAC Traditional name
4-hydrazinyl-6-(pyridin-3-yl)-1,3,5-triazin-2-amine
Synonyms
4-hydrazino-6-(3-pyridyl)-1,3,5-triazin-2-amine
CAS Number
175204-70-3
MDL Number
MFCD00052759
PubChem SID
162071563
PubChem CID
2782099

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2782099 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.831534  H Acceptors
H Donor LogD (pH = 5.5) -0.8451611 
LogD (pH = 7.4) 0.5303029  Log P 0.730466 
Molar Refractivity 70.0749 cm3 Polarizability 20.745457 Å3
Polar Surface Area 115.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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