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20914-69-6 molecular structure
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2-methyl-[1,2,4]triazolo[1,5-a]pyrazine

ChemBase ID: 292273
Molecular Formular: C6H6N4
Molecular Mass: 134.13864
Monoisotopic Mass: 134.05924621
SMILES and InChIs

SMILES:
Cc1nn2ccncc2n1
Canonical SMILES:
Cc1nn2c(n1)cncc2
InChI:
InChI=1S/C6H6N4/c1-5-8-6-4-7-2-3-10(6)9-5/h2-4H,1H3
InChIKey:
PRRJKUPWAKHCOO-UHFFFAOYSA-N

Cite this record

CBID:292273 http://www.chembase.cn/molecule-292273.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
IUPAC Traditional name
2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
Synonyms
2-Methyl-[1,2,4]triazolo[1,5-a]pyrazine
CAS Number
20914-69-6
PubChem SID
180677804
PubChem CID
584093

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241057 Please log in.
Data Source Data ID
PubChem 584093 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.56002146  LogD (pH = 7.4) 0.5600267 
Log P 0.56002676  Molar Refractivity 47.2192 cm3
Polarizability 13.292213 Å3 Polar Surface Area 43.08 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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