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

C13H18N4O — CID 117136667

IUPAC8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccn2nc(CC3CCCN3C)nc12
InChIInChI=1S/C13H18N4O/c1-16-7-3-5-10(16)9-12-14-13-11(18-2)6-4-8-17(13)15-12/h4,6,8,10H,3,5,7,9H2,1-2H3
InChIKeyOGXYLJNVUUYXAH-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.37
Rot. Bonds3

About 8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117136667) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117136667
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccn2nc(CC3CCCN3C)nc12
InChIInChI=1S/C13H18N4O/c1-16-7-3-5-10(16)9-12-14-13-11(18-2)6-4-8-17(13)15-12/h4,6,8,10H,3,5,7,9H2,1-2H3
InChIKeyOGXYLJNVUUYXAH-UHFFFAOYSA-N
XLogP1.37
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136735
8-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136871
2-[(1-ethylpiperidin-3-yl)methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117136928
2-[(1-ethylpiperidin-4-yl)methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117136154
methyl 2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117136907
8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136147
2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136884
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117129831
8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 116989841
methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129873
8-methoxy-2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117136536

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117136667) is 8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cccn2nc(CC3CCCN3C)nc12.
What is the InChIKey of 8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is OGXYLJNVUUYXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16-7-3-5-10(16)9-12-14-13-11(18-2)6-4-8-17(13)15-12/h4,6,8,10H,3,5,7,9H2,1-2H3.
What are the key properties of 8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 246.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117136667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).