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

C11H14N4O2 — CID 47367616

IUPACN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
SMILESCC(=O)NCCCn1nc2ccccn2c1=O
InChIInChI=1S/C11H14N4O2/c1-9(16)12-6-4-8-15-11(17)14-7-3-2-5-10(14)13-15/h2-3,5,7H,4,6,8H2,1H3,(H,12,16)
InChIKeyLHWFXPOTHCRMPY-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.02
Rot. Bonds4

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

N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide (PubChem CID 47367616) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
PubChem CID47367616
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
SMILESCC(=O)NCCCn1nc2ccccn2c1=O
InChIInChI=1S/C11H14N4O2/c1-9(16)12-6-4-8-15-11(17)14-7-3-2-5-10(14)13-15/h2-3,5,7H,4,6,8H2,1H3,(H,12,16)
InChIKeyLHWFXPOTHCRMPY-UHFFFAOYSA-N
XLogP0.02
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
The IUPAC name of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide (CID 47367616) is N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
The canonical SMILES for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide is CC(=O)NCCCn1nc2ccccn2c1=O.
What is the InChIKey of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
The InChIKey is LHWFXPOTHCRMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-9(16)12-6-4-8-15-11(17)14-7-3-2-5-10(14)13-15/h2-3,5,7H,4,6,8H2,1H3,(H,12,16).
What are the key properties of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide has a molecular weight of 234.26 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide is sourced from PubChem (CID 47367616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).