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148777-81-5 molecular structure
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4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine

ChemBase ID: 307069
Molecular Formular: C6H10N4
Molecular Mass: 138.1704
Monoisotopic Mass: 138.09054634
SMILES and InChIs

SMILES:
c12c(cnn1CCCN2)N
Canonical SMILES:
Nc1cnn2c1NCCC2
InChI:
InChI=1S/C6H10N4/c7-5-4-9-10-3-1-2-8-6(5)10/h4,8H,1-3,7H2
InChIKey:
KJSUUQOHRQRALU-UHFFFAOYSA-N

Cite this record

CBID:307069 http://www.chembase.cn/molecule-307069.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine
IUPAC Traditional name
4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine
Synonyms
4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine
CAS Number
148777-81-5
MDL Number
MFCD09055287

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4011081 external link Add to cart
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) -1.1113198  LogD (pH = 7.4) -0.9792898 
Log P -0.97731614  Molar Refractivity 52.0053 cm3
Polarizability 14.142668 Å3 Polar Surface Area 55.87 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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