Home > Compound List > Compound details
742673-23-0 molecular structure
click picture or here to close

1-[(3R)-pyrrolidin-3-yl]-1H-1,2,3-triazole

ChemBase ID: 814146
Molecular Formular: C6H10N4
Molecular Mass: 138.1704
Monoisotopic Mass: 138.09054634
SMILES and InChIs

SMILES:
n1(nncc1)[C@H]1CNCC1
Canonical SMILES:
C1NC[C@@H](C1)n1nncc1
InChI:
InChI=1S/C6H10N4/c1-2-7-5-6(1)10-4-3-8-9-10/h3-4,6-7H,1-2,5H2/t6-/m1/s1
InChIKey:
WKTIBPHCHGGVEN-ZCFIWIBFSA-N

Cite this record

CBID:814146 http://www.chembase.cn/molecule-814146.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(3R)-pyrrolidin-3-yl]-1H-1,2,3-triazole
IUPAC Traditional name
1-[(3R)-pyrrolidin-3-yl]-1,2,3-triazole
Synonyms
(R)-1-(pyrrolidin-3-yl)-1H-1,2,3-triazole
CAS Number
742673-23-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36291 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36291 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) -3.6306522  LogD (pH = 7.4) -3.266167 
Log P -0.3959715  Molar Refractivity 48.6094 cm3
Polarizability 14.354245 Å3 Polar Surface Area 42.74 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

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