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3,5-dimethyl-7-(5-methyl-2-phenylfuran-3-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

ChemBase ID: 322554
Molecular Formular: C19H20N4O2
Molecular Mass: 336.3877
Monoisotopic Mass: 336.1586259
SMILES and InChIs

SMILES:
c1(C(=O)N2Cc3n(c(nn3)C)C(C2)C)c(oc(c1)C)c1ccccc1
Canonical SMILES:
Cc1cc(c(o1)c1ccccc1)C(=O)N1CC(C)n2c(C1)nnc2C
InChI:
InChI=1S/C19H20N4O2/c1-12-10-22(11-17-21-20-14(3)23(12)17)19(24)16-9-13(2)25-18(16)15-7-5-4-6-8-15/h4-9,12H,10-11H2,1-3H3
InChIKey:
AAQAIQBXWYETFC-UHFFFAOYSA-N

Cite this record

CBID:322554 http://www.chembase.cn/molecule-322554.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dimethyl-7-(5-methyl-2-phenylfuran-3-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
IUPAC Traditional name
3,5-dimethyl-7-(5-methyl-2-phenylfuran-3-carbonyl)-5H,6H,8H-[1,2,4]triazolo[4,3-a]pyrazine
Synonyms
3,5-dimethyl-7-(5-methyl-2-phenyl-3-furoyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11308257 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
Polar Surface Area 64.16 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 1.65  LOG S -3.06 
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 1.4883113  LogD (pH = 7.4) 1.4887744 
Log P 1.4887804  Molar Refractivity 96.5044 cm3
Polarizability 36.673546 Å3 Polar Surface Area 64.16 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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