Home > Compound List > Compound details
 molecular structure
click picture or here to close

5-(naphthalen-2-yl)-3-[4-(pyridin-2-yl)piperazin-1-yl]-1,2,4-triazine

ChemBase ID: 410107
Molecular Formular: C22H20N6
Molecular Mass: 368.4344
Monoisotopic Mass: 368.17494467
SMILES and InChIs

SMILES:
c1(nc(c2cc3c(cc2)cccc3)cnn1)N1CCN(c2ncccc2)CC1
Canonical SMILES:
c1ccc(nc1)N1CCN(CC1)c1nncc(n1)c1ccc2c(c1)cccc2
InChI:
InChI=1S/C22H20N6/c1-2-6-18-15-19(9-8-17(18)5-1)20-16-24-26-22(25-20)28-13-11-27(12-14-28)21-7-3-4-10-23-21/h1-10,15-16H,11-14H2
InChIKey:
DSIGIQUSZVUJJN-UHFFFAOYSA-N

Cite this record

CBID:410107 http://www.chembase.cn/molecule-410107.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(naphthalen-2-yl)-3-[4-(pyridin-2-yl)piperazin-1-yl]-1,2,4-triazine
IUPAC Traditional name
5-(naphthalen-2-yl)-3-[4-(pyridin-2-yl)piperazin-1-yl]-1,2,4-triazine
Synonyms
5-(2-naphthyl)-3-[4-(2-pyridinyl)-1-piperazinyl]-1,2,4-triazine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 24353346 external link Add to cart
Data Source Data ID Price
ChemBridge
24353346 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.127247  LogD (pH = 7.4) 3.9524357 
Log P 3.9943726  Molar Refractivity 112.8798 cm3
Polarizability 43.80323 Å3 Polar Surface Area 58.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.48  LOG S -5.83 
Polar Surface Area 58.04 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle