2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C11H20N4O2 — CID 62936323

IUPAC2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOCCNCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C11H20N4O2/c1-17-9-6-12-5-8-15-11(16)14-7-3-2-4-10(14)13-15/h12H,2-9H2,1H3
InChIKeyJJMIGVXJWFFNBF-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.38
Rot. Bonds6

About 2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62936323) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62936323
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOCCNCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C11H20N4O2/c1-17-9-6-12-5-8-15-11(16)14-7-3-2-4-10(14)13-15/h12H,2-9H2,1H3
InChIKeyJJMIGVXJWFFNBF-UHFFFAOYSA-N
XLogP-0.38
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62936323) is 2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is COCCNCCn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is JJMIGVXJWFFNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-17-9-6-12-5-8-15-11(16)14-7-3-2-4-10(14)13-15/h12H,2-9H2,1H3.
What are the key properties of 2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 240.31 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62936323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).