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50593-24-3 molecular structure
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1-methyl-1H-indazol-5-amine

ChemBase ID: 39711
Molecular Formular: C8H9N3
Molecular Mass: 147.17716
Monoisotopic Mass: 147.0796473
SMILES and InChIs

SMILES:
n1n(c2c(c1)cc(cc2)N)C
Canonical SMILES:
Nc1ccc2c(c1)cnn2C
InChI:
InChI=1S/C8H9N3/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,9H2,1H3
InChIKey:
PYOFNPHTKBSXOM-UHFFFAOYSA-N

Cite this record

CBID:39711 http://www.chembase.cn/molecule-39711.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1H-indazol-5-amine
IUPAC Traditional name
1-methylindazol-5-amine
Synonyms
1-Methyl-1H-indazol-5-amine
1-Methyl-1H-indazol-5-amine
5-Amino-1-methyl-1H-indazole
CAS Number
50593-24-3
MDL Number
MFCD03305455
PubChem SID
161003018
PubChem CID
2768032

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.58751935  LogD (pH = 7.4) 0.5910131 
Log P 0.5910578  Molar Refractivity 55.9895 cm3
Polarizability 17.561903 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
142 - 144 °C expand Show data source
142-144°C expand Show data source
Storage Warning
IRRITANT expand Show data source
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
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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