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1196152-43-8 molecular structure
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5-iodo-1-methyl-1H-1,2,3-triazole

ChemBase ID: 814189
Molecular Formular: C3H4IN3
Molecular Mass: 208.98843
Monoisotopic Mass: 208.94499514
SMILES and InChIs

SMILES:
n1(nncc1I)C
Canonical SMILES:
Cn1nncc1I
InChI:
InChI=1S/C3H4IN3/c1-7-3(4)2-5-6-7/h2H,1H3
InChIKey:
RRRKYKMVUDVTHC-UHFFFAOYSA-N

Cite this record

CBID:814189 http://www.chembase.cn/molecule-814189.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-iodo-1-methyl-1H-1,2,3-triazole
IUPAC Traditional name
5-iodo-1-methyl-1,2,3-triazole
Synonyms
5-iodo-1-methyl-1H-1,2,3-triazole
CAS Number
1196152-43-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36338 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36338 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.81334347  LogD (pH = 7.4) 0.81334454 
Log P 0.81334454  Molar Refractivity 44.9798 cm3
Polarizability 13.586511 Å3 Polar Surface Area 30.71 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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