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

C14H22N4O2 — CID 62562998

IUPAC2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(C)OCCCNCCn1nc2ccccn2c1=O
InChIInChI=1S/C14H22N4O2/c1-12(2)20-11-5-7-15-8-10-18-14(19)17-9-4-3-6-13(17)16-18/h3-4,6,9,12,15H,5,7-8,10-11H2,1-2H3
InChIKeyKZJODRAGBBWCNC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.90
Rot. Bonds8

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

2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62562998) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62562998
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(C)OCCCNCCn1nc2ccccn2c1=O
InChIInChI=1S/C14H22N4O2/c1-12(2)20-11-5-7-15-8-10-18-14(19)17-9-4-3-6-13(17)16-18/h3-4,6,9,12,15H,5,7-8,10-11H2,1-2H3
InChIKeyKZJODRAGBBWCNC-UHFFFAOYSA-N
XLogP0.90
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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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
2-[2-(2,6-Dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42950814
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-Hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43165994
2-[3-(Ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43165995
N-(2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 43418249
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-[2-(1-Methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55087836
2-[2-(Pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55087934
2-[2-[3-(Dimethylamino)propylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55087981

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62562998) is 2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC(C)OCCCNCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is KZJODRAGBBWCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-12(2)20-11-5-7-15-8-10-18-14(19)17-9-4-3-6-13(17)16-18/h3-4,6,9,12,15H,5,7-8,10-11H2,1-2H3.
What are the key properties of 2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 278.36 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propan-2-yloxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62562998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).