2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C11H16N4O2 — CID 60967474

IUPAC2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(CCO)CCn1nc2ccccn2c1=O
InChIInChI=1S/C11H16N4O2/c1-13(8-9-16)6-7-15-11(17)14-5-3-2-4-10(14)12-15/h2-5,16H,6-9H2,1H3
InChIKeyFRURRSHAWAFKHS-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.58
Rot. Bonds5

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

2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 60967474) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID60967474
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(CCO)CCn1nc2ccccn2c1=O
InChIInChI=1S/C11H16N4O2/c1-13(8-9-16)6-7-15-11(17)14-5-3-2-4-10(14)12-15/h2-5,16H,6-9H2,1H3
InChIKeyFRURRSHAWAFKHS-UHFFFAOYSA-N
XLogP-0.58
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 60967474) is 2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CN(CCO)CCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is FRURRSHAWAFKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-13(8-9-16)6-7-15-11(17)14-5-3-2-4-10(14)12-15/h2-5,16H,6-9H2,1H3.
What are the key properties of 2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 236.28 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 60967474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).