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90708-10-4 molecular structure
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5-ethyl-1-methyl-1H-1,2,4-triazol-3-amine

ChemBase ID: 307276
Molecular Formular: C5H10N4
Molecular Mass: 126.1597
Monoisotopic Mass: 126.09054634
SMILES and InChIs

SMILES:
n1c(nn(c1CC)C)N
Canonical SMILES:
Cn1nc(nc1CC)N
InChI:
InChI=1S/C5H10N4/c1-3-4-7-5(6)8-9(4)2/h3H2,1-2H3,(H2,6,8)
InChIKey:
SEDFRMHLJGECEU-UHFFFAOYSA-N

Cite this record

CBID:307276 http://www.chembase.cn/molecule-307276.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethyl-1-methyl-1H-1,2,4-triazol-3-amine
IUPAC Traditional name
5-ethyl-1-methyl-1,2,4-triazol-3-amine
Synonyms
5-ethyl-1-methyl-1H-1,2,4-triazol-3-amine
CAS Number
90708-10-4
MDL Number
MFCD08059917

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) 0.3870922  LogD (pH = 7.4) 0.38803485 
Log P 0.3880469  Molar Refractivity 47.8495 cm3
Polarizability 12.778289 Å3 Polar Surface Area 56.73 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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