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

C12H16N4O3 — CID 47069901

IUPAC2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
SMILESCOCC(=O)NCCCn1nc2ccccn2c1=O
InChIInChI=1S/C12H16N4O3/c1-19-9-11(17)13-6-4-8-16-12(18)15-7-3-2-5-10(15)14-16/h2-3,5,7H,4,6,8-9H2,1H3,(H,13,17)
InChIKeySTOSYEMXTVZLIE-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.35
Rot. Bonds6

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

2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide (PubChem CID 47069901) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
PubChem CID47069901
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
SMILESCOCC(=O)NCCCn1nc2ccccn2c1=O
InChIInChI=1S/C12H16N4O3/c1-19-9-11(17)13-6-4-8-16-12(18)15-7-3-2-5-10(15)14-16/h2-3,5,7H,4,6,8-9H2,1H3,(H,13,17)
InChIKeySTOSYEMXTVZLIE-UHFFFAOYSA-N
XLogP-0.35
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide (CID 47069901) is 2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide is COCC(=O)NCCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
The InChIKey is STOSYEMXTVZLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-19-9-11(17)13-6-4-8-16-12(18)15-7-3-2-5-10(15)14-16/h2-3,5,7H,4,6,8-9H2,1H3,(H,13,17).
What are the key properties of 2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide has a molecular weight of 264.28 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide is sourced from PubChem (CID 47069901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).