methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

C14H18N4O2 — CID 117129873

IUPACmethyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(CC3CCCN3C)nn2c1
InChIInChI=1S/C14H18N4O2/c1-17-7-3-4-11(17)8-12-15-13-6-5-10(14(19)20-2)9-18(13)16-12/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyWUVNQOXFENOEMF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.15
Rot. Bonds3

About methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 117129873) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
PubChem CID117129873
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(CC3CCCN3C)nn2c1
InChIInChI=1S/C14H18N4O2/c1-17-7-3-4-11(17)8-12-15-13-6-5-10(14(19)20-2)9-18(13)16-12/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyWUVNQOXFENOEMF-UHFFFAOYSA-N
XLogP1.15
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate with MolForge

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Related Compounds

2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117129871
methyl 2-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129300
methyl 2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129999
6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117129831
methyl 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129158
6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117129973
methyl 2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117136907
methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117257789
methyl 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567227
methyl 2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130631
methyl 3-[(1-methylpiperidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 117140246
methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117132114

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (CID 117129873) is methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(CC3CCCN3C)nn2c1.
What is the InChIKey of methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is WUVNQOXFENOEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-7-3-4-11(17)8-12-15-13-6-5-10(14(19)20-2)9-18(13)16-12/h5-6,9,11H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 117129873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).