6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine

C12H15FN4 — CID 86686945

IUPAC6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc2nnc(CCN3CCCC3)n2c1
InChIInChI=1S/C12H15FN4/c13-10-3-4-11-14-15-12(17(11)9-10)5-8-16-6-1-2-7-16/h3-4,9H,1-2,5-8H2
InChIKeyABLOXFHOYVYGQW-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.51
Rot. Bonds3

About 6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine

6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 86686945) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID86686945
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc2nnc(CCN3CCCC3)n2c1
InChIInChI=1S/C12H15FN4/c13-10-3-4-11-14-15-12(17(11)9-10)5-8-16-6-1-2-7-16/h3-4,9H,1-2,5-8H2
InChIKeyABLOXFHOYVYGQW-UHFFFAOYSA-N
XLogP1.51
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-Amino-(1,2,4)triazolo(4,3-a)pyridine
CID 253286
1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane
CID 327606
2-[2-(2-Methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72705478
6-[4-(2-Pyridyl)piperazino][1,2,4]triazolo[4,3-B]pyridazine
CID 9550140
Pyridotetrazole
CID 136089
(1,2,4)Triazolo(1,5-a)pyridine
CID 67508
6,8-Difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165415021
3-Methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 5308432
3-(4-Fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine
CID 726694
(1,2,4)Triazolo(1,5-a)pyridin-2-amine
CID 584054
2,6-Di(1-pyrazolyl)pyridine
CID 11816656
[1,2,4]Triazolo[4,3-a]pyridin-8-amine
CID 272202

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 86686945) is 6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine is Fc1ccc2nnc(CCN3CCCC3)n2c1.
What is the InChIKey of 6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ABLOXFHOYVYGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c13-10-3-4-11-14-15-12(17(11)9-10)5-8-16-6-1-2-7-16/h3-4,9H,1-2,5-8H2.
What are the key properties of 6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 234.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 86686945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).