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

C13H20N4O — CID 55087934

IUPAC2-[2-(pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCCCNCCn1nc2ccccn2c1=O
InChIInChI=1S/C13H20N4O/c1-2-3-5-8-14-9-11-17-13(18)16-10-6-4-7-12(16)15-17/h4,6-7,10,14H,2-3,5,8-9,11H2,1H3
InChIKeyLVQPYPSELPULJA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.28
Rot. Bonds7

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

2-[2-(pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 55087934) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-(pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID55087934
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[2-(pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCCCNCCn1nc2ccccn2c1=O
InChIInChI=1S/C13H20N4O/c1-2-3-5-8-14-9-11-17-13(18)16-10-6-4-7-12(16)15-17/h4,6-7,10,14H,2-3,5,8-9,11H2,1H3
InChIKeyLVQPYPSELPULJA-UHFFFAOYSA-N
XLogP1.28
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.28
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 2-[2-(pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 55087934) is 2-[2-(pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCCCCNCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-(pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is LVQPYPSELPULJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-3-5-8-14-9-11-17-13(18)16-10-6-4-7-12(16)15-17/h4,6-7,10,14H,2-3,5,8-9,11H2,1H3.
What are the key properties of 2-[2-(pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 248.33 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pentylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 55087934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).