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915922-87-1 molecular structure
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1-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazine

ChemBase ID: 307210
Molecular Formular: C8H15N5
Molecular Mass: 181.2382
Monoisotopic Mass: 181.13274551
SMILES and InChIs

SMILES:
n1cnn(c1)CCN1CCNCC1
Canonical SMILES:
N1CCN(CC1)CCn1ncnc1
InChI:
InChI=1S/C8H15N5/c1-3-12(4-2-9-1)5-6-13-8-10-7-11-13/h7-9H,1-6H2
InChIKey:
VNVDCISKBZNFOP-UHFFFAOYSA-N

Cite this record

CBID:307210 http://www.chembase.cn/molecule-307210.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazine
IUPAC Traditional name
1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
Synonyms
1-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazine
CAS Number
915922-87-1
MDL Number
MFCD08059883

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -3.9615893  LogD (pH = 7.4) -2.6350377 
Log P -0.8026976  Molar Refractivity 62.91 cm3
Polarizability 19.551401 Å3 Polar Surface Area 45.98 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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