8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C13H18N4O — CID 117145448

IUPAC8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccn2c(C3CCCCN3C)nnc12
InChIInChI=1S/C13H18N4O/c1-16-8-4-3-6-10(16)12-14-15-13-11(18-2)7-5-9-17(12)13/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyUJYYIWRYWVSWHO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.89
Rot. Bonds2

About 8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117145448) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117145448
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccn2c(C3CCCCN3C)nnc12
InChIInChI=1S/C13H18N4O/c1-16-8-4-3-6-10(16)12-14-15-13-11(18-2)7-5-9-17(12)13/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyUJYYIWRYWVSWHO-UHFFFAOYSA-N
XLogP1.89
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146593
3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147521
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117145442
8-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750915
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117145429
(2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 97136227
7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117142983
N-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-methoxybenzamide
CID 86763634
5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117140470
methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147559
[3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145740
(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

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117145448) is 8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cccn2c(C3CCCCN3C)nnc12.
What is the InChIKey of 8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UJYYIWRYWVSWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16-8-4-3-6-10(16)12-14-15-13-11(18-2)7-5-9-17(12)13/h5,7,9-10H,3-4,6,8H2,1-2H3.
What are the key properties of 8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 246.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117145448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).