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

C13H18N4O3 — CID 47150544

IUPACN-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCCOCCCNC(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C13H18N4O3/c1-2-20-9-5-7-14-12(18)10-17-13(19)16-8-4-3-6-11(16)15-17/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,14,18)
InChIKeyVDHDCZNVCBWEQG-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.04
Rot. Bonds7

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

N-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 47150544) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID47150544
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCCOCCCNC(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C13H18N4O3/c1-2-20-9-5-7-14-12(18)10-17-13(19)16-8-4-3-6-11(16)15-17/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,14,18)
InChIKeyVDHDCZNVCBWEQG-UHFFFAOYSA-N
XLogP0.04
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.04
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 N-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 47150544) is N-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is CCOCCCNC(=O)Cn1nc2ccccn2c1=O.
What is the InChIKey of N-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is VDHDCZNVCBWEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-2-20-9-5-7-14-12(18)10-17-13(19)16-8-4-3-6-11(16)15-17/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,14,18).
What are the key properties of N-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 278.31 g/mol, XLogP of 0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 47150544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).