2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H20N4O2 — CID 62562463

IUPAC2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCOCCCNCCn1nc2ccccn2c1=O
InChIInChI=1S/C13H20N4O2/c1-2-19-11-5-7-14-8-10-17-13(18)16-9-4-3-6-12(16)15-17/h3-4,6,9,14H,2,5,7-8,10-11H2,1H3
InChIKeySIYRFSSELDLQRB-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.51
Rot. Bonds8

About 2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62562463) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62562463
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCOCCCNCCn1nc2ccccn2c1=O
InChIInChI=1S/C13H20N4O2/c1-2-19-11-5-7-14-8-10-17-13(18)16-9-4-3-6-12(16)15-17/h3-4,6,9,14H,2,5,7-8,10-11H2,1H3
InChIKeySIYRFSSELDLQRB-UHFFFAOYSA-N
XLogP0.51
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.51
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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Related Compounds

N-(2-methoxyethyl)-2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetamide
CID 45876292
1-Ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47481211
2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide
CID 42954891
N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide
CID 43061556
2-[2-(1,4-Diazepan-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43340910
N-(3-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 43417595
1-Butyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea
CID 47090491
N-(3-methoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 47150542
N-(3-ethoxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 47150544
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide
CID 47150628
N-(2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 47153588
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
CID 47367616

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62562463) is 2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCOCCCNCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is SIYRFSSELDLQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-19-11-5-7-14-8-10-17-13(18)16-9-4-3-6-12(16)15-17/h3-4,6,9,14H,2,5,7-8,10-11H2,1H3.
What are the key properties of 2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 264.33 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62562463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).