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

C13H20N4O2 — CID 60774935

IUPAC2-[2-[2-hydroxyethyl(propyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCN(CCO)CCn1nc2ccccn2c1=O
InChIInChI=1S/C13H20N4O2/c1-2-6-15(10-11-18)8-9-17-13(19)16-7-4-3-5-12(16)14-17/h3-5,7,18H,2,6,8-11H2,1H3
InChIKeyNEZMOONJNHYSBP-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.20
Rot. Bonds7

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

2-[2-[2-hydroxyethyl(propyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 60774935) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[2-[2-hydroxyethyl(propyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[2-hydroxyethyl(propyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID60774935
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[2-[2-hydroxyethyl(propyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCN(CCO)CCn1nc2ccccn2c1=O
InChIInChI=1S/C13H20N4O2/c1-2-6-15(10-11-18)8-9-17-13(19)16-7-4-3-5-12(16)14-17/h3-5,7,18H,2,6,8-11H2,1H3
InChIKeyNEZMOONJNHYSBP-UHFFFAOYSA-N
XLogP0.20
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.20
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(propyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[2-hydroxyethyl(propyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 60774935) is 2-[2-[2-hydroxyethyl(propyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[2-hydroxyethyl(propyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[2-hydroxyethyl(propyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCCN(CCO)CCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-[2-hydroxyethyl(propyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is NEZMOONJNHYSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-6-15(10-11-18)8-9-17-13(19)16-7-4-3-5-12(16)14-17/h3-5,7,18H,2,6,8-11H2,1H3.
What are the key properties of 2-[2-[2-hydroxyethyl(propyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[2-hydroxyethyl(propyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 264.33 g/mol, XLogP of 0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-hydroxyethyl(propyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 60774935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).