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1227465-52-2 molecular structure
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5-methyl-1-propyl-1H-1,2,4-triazol-3-amine

ChemBase ID: 309327
Molecular Formular: C6H12N4
Molecular Mass: 140.18628
Monoisotopic Mass: 140.1061964
SMILES and InChIs

SMILES:
n1c(nn(c1C)CCC)N
Canonical SMILES:
Cc1nc(nn1CCC)N
InChI:
InChI=1S/C6H12N4/c1-3-4-10-5(2)8-6(7)9-10/h3-4H2,1-2H3,(H2,7,9)
InChIKey:
ZZGBQCDYVODUBW-UHFFFAOYSA-N

Cite this record

CBID:309327 http://www.chembase.cn/molecule-309327.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-1-propyl-1H-1,2,4-triazol-3-amine
IUPAC Traditional name
5-methyl-1-propyl-1,2,4-triazol-3-amine
Synonyms
5-methyl-1-propyl-1H-1,2,4-triazol-3-amine
CAS Number
1227465-52-2
MDL Number
MFCD16556129

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) 0.5656644  LogD (pH = 7.4) 0.5668265 
Log P 0.56684136  Molar Refractivity 52.4952 cm3
Polarizability 14.609652 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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