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725234-33-3 molecular structure
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5-methylpyrazine-2-carboximidamide

ChemBase ID: 799593
Molecular Formular: C6H8N4
Molecular Mass: 136.15452
Monoisotopic Mass: 136.07489628
SMILES and InChIs

SMILES:
c1c(ncc(n1)C)C(=N)N
Canonical SMILES:
Cc1cnc(cn1)C(=N)N
InChI:
InChI=1S/C6H8N4/c1-4-2-10-5(3-9-4)6(7)8/h2-3H,1H3,(H3,7,8)
InChIKey:
QABMWLCUGMXHHK-UHFFFAOYSA-N

Cite this record

CBID:799593 http://www.chembase.cn/molecule-799593.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methylpyrazine-2-carboximidamide
IUPAC Traditional name
5-methylpyrazine-2-carboximidamide
Synonyms
5-methylpyrazine-2-carboximidamide
CAS Number
725234-33-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1463783  LogD (pH = 7.4) -1.6591141 
Log P -1.0244101  Molar Refractivity 47.6362 cm3
Polarizability 14.008833 Å3 Polar Surface Area 75.65 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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