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74197-16-3 molecular structure
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4,5,6,7-tetrahydro-1H-indazol-5-amine

ChemBase ID: 258130
Molecular Formular: C7H11N3
Molecular Mass: 137.18234
Monoisotopic Mass: 137.09529737
SMILES and InChIs

SMILES:
c12c([nH]nc1)CCC(C2)N
Canonical SMILES:
NC1CCc2c(C1)cn[nH]2
InChI:
InChI=1S/C7H11N3/c8-6-1-2-7-5(3-6)4-9-10-7/h4,6H,1-3,8H2,(H,9,10)
InChIKey:
XTWQGFNPJUNTFD-UHFFFAOYSA-N

Cite this record

CBID:258130 http://www.chembase.cn/molecule-258130.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,5,6,7-tetrahydro-1H-indazol-5-amine
IUPAC Traditional name
4,5,6,7-tetrahydro-1H-indazol-5-amine
Synonyms
4,5,6,7-tetrahydro-1H-indazol-5-amine
CAS Number
74197-16-3
MDL Number
MFCD08447527
MFCD18381885
PubChem SID
164314040
PubChem CID
12898417

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12898417 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.409052  H Acceptors
H Donor LogD (pH = 5.5) -3.0152707 
LogD (pH = 7.4) -2.3956602  Log P 1.77354E-4 
Molar Refractivity 40.5861 cm3 Polarizability 15.139523 Å3
Polar Surface Area 54.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
168 - 170°C expand Show data source
Hydrophobicity(logP)
-0.484 expand Show data source
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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