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162103649 molecular structure
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7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine hydrochloride

ChemBase ID: 71600
Molecular Formular: C6H8ClN5
Molecular Mass: 185.61422
Monoisotopic Mass: 185.04682296
SMILES and InChIs

SMILES:
c12nc(nn1c(ccn2)C)N.Cl
Canonical SMILES:
Nc1nn2c(n1)nccc2C.Cl
InChI:
InChI=1S/C6H7N5.ClH/c1-4-2-3-8-6-9-5(7)10-11(4)6;/h2-3H,1H3,(H2,7,10);1H
InChIKey:
XYEIYQKTWPWEIK-UHFFFAOYSA-N

Cite this record

CBID:71600 http://www.chembase.cn/molecule-71600.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine hydrochloride
IUPAC Traditional name
7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine hydrochloride
Synonyms
7-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine hydrochloride
PubChem SID
162103649
PubChem CID
71299894

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
077221 external link Add to cart Please log in.
Data Source Data ID
PubChem 71299894 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.854921  H Acceptors
H Donor LogD (pH = 5.5) 0.26194218 
LogD (pH = 7.4) 0.26197356  Log P 0.26197398 
Molar Refractivity 53.401 cm3 Polarizability 14.455166 Å3
Polar Surface Area 69.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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