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31052-95-6 molecular structure
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[1,2,4]triazolo[1,5-a]pyridin-8-amine

ChemBase ID: 40982
Molecular Formular: C6H6N4
Molecular Mass: 134.13864
Monoisotopic Mass: 134.05924621
SMILES and InChIs

SMILES:
c12n(ncn1)cccc2N
Canonical SMILES:
Nc1cccn2c1ncn2
InChI:
InChI=1S/C6H6N4/c7-5-2-1-3-10-6(5)8-4-9-10/h1-4H,7H2
InChIKey:
LJPJXPHHXBKTKJ-UHFFFAOYSA-N

Cite this record

CBID:40982 http://www.chembase.cn/molecule-40982.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1,2,4]triazolo[1,5-a]pyridin-8-amine
IUPAC Traditional name
[1,2,4]triazolo[1,5-a]pyridin-8-amine
Synonyms
[1,2,4]Triazolo[1,5-a]pyridin-8-amine
CAS Number
31052-95-6
MDL Number
MFCD01316370
PubChem SID
162045745
PubChem CID
272201

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 272201 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.33390453  LogD (pH = 7.4) 0.33585623 
Log P 0.33588117  Molar Refractivity 49.4521 cm3
Polarizability 13.544388 Å3 Polar Surface Area 56.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
103 - 106 °C expand Show data source
103-106°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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