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2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decane

ChemBase ID: 470062
Molecular Formular: C13H20N4
Molecular Mass: 232.3247
Monoisotopic Mass: 232.16879666
SMILES and InChIs

SMILES:
N1(c2nnc(cc2)C)CC2(CC1)CNCCC2
Canonical SMILES:
Cc1ccc(nn1)N1CCC2(C1)CCCNC2
InChI:
InChI=1S/C13H20N4/c1-11-3-4-12(16-15-11)17-8-6-13(10-17)5-2-7-14-9-13/h3-4,14H,2,5-10H2,1H3
InChIKey:
TUMGRRWLFPHQKR-UHFFFAOYSA-N

Cite this record

CBID:470062 http://www.chembase.cn/molecule-470062.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decane
IUPAC Traditional name
2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decane
Synonyms
2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decane

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 33889796 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -2.4812777  LogD (pH = 7.4) -1.7968533 
Log P 0.77440935  Molar Refractivity 70.5849 cm3
Polarizability 26.247458 Å3 Polar Surface Area 41.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.76  LOG S -0.54 
Polar Surface Area 41.05 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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