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65024-00-2 molecular structure
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6-hydrazinyl-8-oxa-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

ChemBase ID: 248937
Molecular Formular: C10H8N4O
Molecular Mass: 200.19672
Monoisotopic Mass: 200.0698109
SMILES and InChIs

SMILES:
c12oc3c(c1ncnc2NN)cccc3
Canonical SMILES:
NNc1ncnc2c1oc1c2cccc1
InChI:
InChI=1S/C10H8N4O/c11-14-10-9-8(12-5-13-10)6-3-1-2-4-7(6)15-9/h1-5H,11H2,(H,12,13,14)
InChIKey:
DMWZPKRPLIZDNL-UHFFFAOYSA-N

Cite this record

CBID:248937 http://www.chembase.cn/molecule-248937.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-hydrazinyl-8-oxa-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
IUPAC Traditional name
6-hydrazinyl-8-oxa-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Synonyms
4-hydrazino[1]benzofuro[3,2-d]pyrimidine
CAS Number
65024-00-2
MDL Number
MFCD00452697
PubChem SID
164304847
PubChem CID
3131840

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-12978 external link Add to cart Please log in.
Data Source Data ID
PubChem 3131840 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.729249  H Acceptors
H Donor LogD (pH = 5.5) 1.5654587 
LogD (pH = 7.4) 1.5753236  Log P 1.5996872 
Molar Refractivity 57.5393 cm3 Polarizability 23.035046 Å3
Polar Surface Area 76.97 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
232 - 234°C expand Show data source
Hydrophobicity(logP)
2.277 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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