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1429056-45-0 molecular structure
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5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride

ChemBase ID: 293080
Molecular Formular: C5H10Cl2N4
Molecular Mass: 197.0657
Monoisotopic Mass: 196.0282517
SMILES and InChIs

SMILES:
Cl.Cl.c12nncn1CCNC2
Canonical SMILES:
N1CCn2c(C1)nnc2.Cl.Cl
InChI:
InChI=1S/C5H8N4.2ClH/c1-2-9-4-7-8-5(9)3-6-1;;/h4,6H,1-3H2;2*1H
InChIKey:
AUQOBLTVALDIRP-UHFFFAOYSA-N

Cite this record

CBID:293080 http://www.chembase.cn/molecule-293080.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride
IUPAC Traditional name
5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride
Synonyms
5,6,7,8-Tetrahydro[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride
CAS Number
1429056-45-0
PubChem SID
180678611
PubChem CID
71463622

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD243776 Please log in.
Data Source Data ID
PubChem 71463622 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.664972  LogD (pH = 7.4) -1.5046616 
Log P -1.4220095  Molar Refractivity 34.7317 cm3
Polarizability 12.5235615 Å3 Polar Surface Area 42.74 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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