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26668-70-2 molecular structure
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1,5-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine

ChemBase ID: 309462
Molecular Formular: C5H11N5
Molecular Mass: 141.17434
Monoisotopic Mass: 141.10144538
SMILES and InChIs

SMILES:
c1(nc(nn1C)N)N(C)C
Canonical SMILES:
CN(c1nc(nn1C)N)C
InChI:
InChI=1S/C5H11N5/c1-9(2)5-7-4(6)8-10(5)3/h1-3H3,(H2,6,8)
InChIKey:
YPVUBEWWGNRQAM-UHFFFAOYSA-N

Cite this record

CBID:309462 http://www.chembase.cn/molecule-309462.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,5-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine
IUPAC Traditional name
1,5-N,5-N-trimethyl-1,2,4-triazole-3,5-diamine
Synonyms
N~5~,N~5~,1-trimethyl-1H-1,2,4-triazole-3,5-diamine
CAS Number
26668-70-2
MDL Number
MFCD02853168

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.35550755  LogD (pH = 7.4) 0.35672462 
Log P 0.35674018  Molar Refractivity 52.6838 cm3
Polarizability 14.0092 Å3 Polar Surface Area 59.97 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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