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959237-50-4 molecular structure
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2-{[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-ol

ChemBase ID: 306961
Molecular Formular: C7H8N4O
Molecular Mass: 164.16462
Monoisotopic Mass: 164.0698109
SMILES and InChIs

SMILES:
c12n(ncn1)cc(cn2)CCO
Canonical SMILES:
OCCc1cnc2n(c1)ncn2
InChI:
InChI=1S/C7H8N4O/c12-2-1-6-3-8-7-9-5-10-11(7)4-6/h3-5,12H,1-2H2
InChIKey:
QQRXAPDUQYJTJO-UHFFFAOYSA-N

Cite this record

CBID:306961 http://www.chembase.cn/molecule-306961.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-ol
IUPAC Traditional name
2-{[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanol
Synonyms
2-[1,2,4]triazolo[1,5-a]pyrimidin-6-ylethanol
CAS Number
959237-50-4
MDL Number
MFCD09834256

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) -0.2661376  LogD (pH = 7.4) -0.266136 
Log P -0.26613596  Molar Refractivity 55.1758 cm3
Polarizability 15.794597 Å3 Polar Surface Area 63.31 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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