1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine

C13H15FN4O — CID 90409683

IUPAC1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESFCCOc1ccccc1-n1nnc2c1CCNC2
InChIInChI=1S/C13H15FN4O/c14-6-8-19-13-4-2-1-3-12(13)18-11-5-7-15-9-10(11)16-17-18/h1-4,15H,5-9H2
InChIKeyORNOIBXKVLRMMS-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.26
Rot. Bonds4

About 1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine

1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (PubChem CID 90409683) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
PubChem CID90409683
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESFCCOc1ccccc1-n1nnc2c1CCNC2
InChIInChI=1S/C13H15FN4O/c14-6-8-19-13-4-2-1-3-12(13)18-11-5-7-15-9-10(11)16-17-18/h1-4,15H,5-9H2
InChIKeyORNOIBXKVLRMMS-UHFFFAOYSA-N
XLogP1.26
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The IUPAC name of 1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (CID 90409683) is 1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.
What is the SMILES notation for 1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The canonical SMILES for 1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is FCCOc1ccccc1-n1nnc2c1CCNC2.
What is the InChIKey of 1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The InChIKey is ORNOIBXKVLRMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-6-8-19-13-4-2-1-3-12(13)18-11-5-7-15-9-10(11)16-17-18/h1-4,15H,5-9H2.
What are the key properties of 1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine has a molecular weight of 262.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroethoxy)phenyl]-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is sourced from PubChem (CID 90409683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).