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27392-68-3 molecular structure
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1,5-naphthyridin-4-amine

ChemBase ID: 293993
Molecular Formular: C8H7N3
Molecular Mass: 145.16128
Monoisotopic Mass: 145.06399724
SMILES and InChIs

SMILES:
Nc1ccnc2cccnc12
Canonical SMILES:
Nc1ccnc2c1nccc2
InChI:
InChI=1S/C8H7N3/c9-6-3-5-10-7-2-1-4-11-8(6)7/h1-5H,(H2,9,10)
InChIKey:
KFAJXZVDBVRZRC-UHFFFAOYSA-N

Cite this record

CBID:293993 http://www.chembase.cn/molecule-293993.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,5-naphthyridin-4-amine
IUPAC Traditional name
1,5-naphthyridin-4-amine
Synonyms
1,5-Naphthyridin-4-amine
4-amino-1,5-naphthyridine
CAS Number
27392-68-3
MDL Number
MFCD00234410
PubChem SID
180679524
PubChem CID
589354

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 589354 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.10185443  LogD (pH = 7.4) 0.46243232 
Log P 0.4701524  Molar Refractivity 42.1508 cm3
Polarizability 17.211 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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