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

C15H14N4O3 — CID 110885067

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

N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 110885067) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
• PubChem CID: 110885067
• Molecular Formula: C15H14N4O3
• Molecular Weight: 298.30 g/mol
• Exact Mass: 298.11
• IUPAC Name: N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
• SMILES: O=C(Cn1nc2ccccn2c1=O)Nc1cccc(CO)c1
• InChI: InChI=1S/C15H14N4O3/c20-10-11-4-3-5-12(8-11)16-14(21)9-19-15(22)18-7-2-1-6-13(18)17-19/h1-8,20H,9-10H2,(H,16,21)
• InChIKey: HDBLPLHNTPRTPC-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 88.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.30
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?

The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 110885067) is N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?

The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is O=C(Cn1nc2ccccn2c1=O)Nc1cccc(CO)c1.

What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?

The InChIKey is HDBLPLHNTPRTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-10-11-4-3-5-12(8-11)16-14(21)9-19-15(22)18-7-2-1-6-13(18)17-19/h1-8,20H,9-10H2,(H,16,21).

What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?

N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 298.30 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 110885067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).