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101257-89-0 molecular structure
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4-methyl-1H-indazol-5-amine

ChemBase ID: 294878
Molecular Formular: C8H9N3
Molecular Mass: 147.17716
Monoisotopic Mass: 147.0796473
SMILES and InChIs

SMILES:
Nc1c(C)c2c([nH]nc2)cc1
Canonical SMILES:
Nc1ccc2c(c1C)cn[nH]2
InChI:
InChI=1S/C8H9N3/c1-5-6-4-10-11-8(6)3-2-7(5)9/h2-4H,9H2,1H3,(H,10,11)
InChIKey:
MCJKSYZMURIBSI-UHFFFAOYSA-N

Cite this record

CBID:294878 http://www.chembase.cn/molecule-294878.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-1H-indazol-5-amine
IUPAC Traditional name
4-methyl-1H-indazol-5-amine
Synonyms
4-Methyl-1H-indazol-5-amine
CAS Number
101257-89-0
MDL Number
MFCD09263208
PubChem SID
180680409
PubChem CID
19354421

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD102296 Please log in.
Data Source Data ID
PubChem 19354421 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.643939  H Acceptors
H Donor LogD (pH = 5.5) 0.97870374 
LogD (pH = 7.4) 0.9807766  Log P 0.98080313 
Molar Refractivity 45.8147 cm3 Polarizability 17.56361 Å3
Polar Surface Area 54.7 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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