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67130-86-3 molecular structure
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3-(morpholin-4-yl)pyrazine-2-carbonitrile

ChemBase ID: 802288
Molecular Formular: C9H10N4O
Molecular Mass: 190.2019
Monoisotopic Mass: 190.08546096
SMILES and InChIs

SMILES:
c1(c(nccn1)C#N)N1CCOCC1
Canonical SMILES:
N#Cc1nccnc1N1CCOCC1
InChI:
InChI=1S/C9H10N4O/c10-7-8-9(12-2-1-11-8)13-3-5-14-6-4-13/h1-2H,3-6H2
InChIKey:
BXLNFJRCEBDZES-UHFFFAOYSA-N

Cite this record

CBID:802288 http://www.chembase.cn/molecule-802288.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(morpholin-4-yl)pyrazine-2-carbonitrile
IUPAC Traditional name
3-(morpholin-4-yl)pyrazine-2-carbonitrile
Synonyms
3-(MORPHOLIN-4-YL)PYRAZINE-2-CARBONITRILE
CAS Number
67130-86-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18730 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18730 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.26384836  LogD (pH = 7.4) 0.26384842 
Log P 0.26384842  Molar Refractivity 50.9104 cm3
Polarizability 18.883017 Å3 Polar Surface Area 62.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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