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N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

ChemBase ID: 510081
Molecular Formular: C16H15N5O2
Molecular Mass: 309.3226
Monoisotopic Mass: 309.12257475
SMILES and InChIs

SMILES:
c1(nc2n(n1)cccn2)C(=O)N(CC1Oc2c(C1)cccc2)C
Canonical SMILES:
CN(C(=O)c1nn2c(n1)nccc2)CC1Cc2c(O1)cccc2
InChI:
InChI=1S/C16H15N5O2/c1-20(10-12-9-11-5-2-3-6-13(11)23-12)15(22)14-18-16-17-7-4-8-21(16)19-14/h2-8,12H,9-10H2,1H3
InChIKey:
OXIHDFDYYQHFJS-UHFFFAOYSA-N

Cite this record

CBID:510081 http://www.chembase.cn/molecule-510081.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
IUPAC Traditional name
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Synonyms
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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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) 2.0285065  LogD (pH = 7.4) 2.0285065 
Log P 2.0285065  Molar Refractivity 95.6696 cm3
Polarizability 31.304838 Å3 Polar Surface Area 72.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.93  LOG S -2.3 
Polar Surface Area 72.62 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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