2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C11H14N4O — CID 117131158

IUPAC2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCN1CCC(c2nc3cccc(=O)n3[nH]2)C1
InChIInChI=1S/C11H14N4O/c1-14-6-5-8(7-14)11-12-9-3-2-4-10(16)15(9)13-11/h2-4,8H,5-7H2,1H3,(H,12,13)
InChIKeyIEYGCZRGCGWYSL-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.44
Rot. Bonds1

About 2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117131158) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117131158
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCN1CCC(c2nc3cccc(=O)n3[nH]2)C1
InChIInChI=1S/C11H14N4O/c1-14-6-5-8(7-14)11-12-9-3-2-4-10(16)15(9)13-11/h2-4,8H,5-7H2,1H3,(H,12,13)
InChIKeyIEYGCZRGCGWYSL-UHFFFAOYSA-N
XLogP0.44
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117131158) is 2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CN1CCC(c2nc3cccc(=O)n3[nH]2)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is IEYGCZRGCGWYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-14-6-5-8(7-14)11-12-9-3-2-4-10(16)15(9)13-11/h2-4,8H,5-7H2,1H3,(H,12,13).
What are the key properties of 2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 218.26 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117131158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).