N-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C12H16N4O2 — CID 47153588

IUPACN-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCC(C)CNC(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C12H16N4O2/c1-9(2)7-13-11(17)8-16-12(18)15-6-4-3-5-10(15)14-16/h3-6,9H,7-8H2,1-2H3,(H,13,17)
InChIKeyYMJUEUVBOIMYAD-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.27
Rot. Bonds4

About N-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 47153588) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID47153588
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCC(C)CNC(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C12H16N4O2/c1-9(2)7-13-11(17)8-16-12(18)15-6-4-3-5-10(15)14-16/h3-6,9H,7-8H2,1-2H3,(H,13,17)
InChIKeyYMJUEUVBOIMYAD-UHFFFAOYSA-N
XLogP0.27
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 47153588) is N-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is CC(C)CNC(=O)Cn1nc2ccccn2c1=O.
What is the InChIKey of N-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is YMJUEUVBOIMYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-9(2)7-13-11(17)8-16-12(18)15-6-4-3-5-10(15)14-16/h3-6,9H,7-8H2,1-2H3,(H,13,17).
What are the key properties of N-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 248.29 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 47153588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).