5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C12H16N4O — CID 117140470

IUPAC5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc2nnc(C3CCCN3C)n12
InChIInChI=1S/C12H16N4O/c1-15-8-4-5-9(15)12-14-13-10-6-3-7-11(17-2)16(10)12/h3,6-7,9H,4-5,8H2,1-2H3
InChIKeyRUICBEPKJGIJDL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.50
Rot. Bonds2

About 5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117140470) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117140470
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc2nnc(C3CCCN3C)n12
InChIInChI=1S/C12H16N4O/c1-15-8-4-5-9(15)12-14-13-10-6-3-7-11(17-2)16(10)12/h3,6-7,9H,4-5,8H2,1-2H3
InChIKeyRUICBEPKJGIJDL-UHFFFAOYSA-N
XLogP1.50
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117140658
3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117140421
7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117142983
8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145448
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141578
6-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)pyridine
CID 102542565
3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142605
(2,6-dimethoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 92640624
3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117141643
3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147521
5-bromo-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine
CID 117141623
8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146593

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117140470) is 5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc2nnc(C3CCCN3C)n12.
What is the InChIKey of 5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is RUICBEPKJGIJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-15-8-4-5-9(15)12-14-13-10-6-3-7-11(17-2)16(10)12/h3,6-7,9H,4-5,8H2,1-2H3.
What are the key properties of 5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 232.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117140470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).