2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H20N4O3 — CID 62014980

IUPAC2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOCC(O)CN(C)CCn1nc2ccccn2c1=O
InChIInChI=1S/C13H20N4O3/c1-15(9-11(18)10-20-2)7-8-17-13(19)16-6-4-3-5-12(16)14-17/h3-6,11,18H,7-10H2,1-2H3
InChIKeyNGFHHLHCQAXRCY-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.56
Rot. Bonds7

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

2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62014980) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62014980
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOCC(O)CN(C)CCn1nc2ccccn2c1=O
InChIInChI=1S/C13H20N4O3/c1-15(9-11(18)10-20-2)7-8-17-13(19)16-6-4-3-5-12(16)14-17/h3-6,11,18H,7-10H2,1-2H3
InChIKeyNGFHHLHCQAXRCY-UHFFFAOYSA-N
XLogP-0.56
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62014980) is 2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is COCC(O)CN(C)CCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is NGFHHLHCQAXRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-15(9-11(18)10-20-2)7-8-17-13(19)16-6-4-3-5-12(16)14-17/h3-6,11,18H,7-10H2,1-2H3.
What are the key properties of 2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 280.33 g/mol, XLogP of -0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62014980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).