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

C13H24N4O2 — CID 62937175

IUPAC2-[4-(2-methoxyethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOCCNCCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C13H24N4O2/c1-19-11-8-14-7-3-5-10-17-13(18)16-9-4-2-6-12(16)15-17/h14H,2-11H2,1H3
InChIKeyWFRIEQLRYDMBJZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.40
Rot. Bonds8

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

2-[4-(2-methoxyethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62937175) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[4-(2-methoxyethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62937175
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[4-(2-methoxyethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOCCNCCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C13H24N4O2/c1-19-11-8-14-7-3-5-10-17-13(18)16-9-4-2-6-12(16)15-17/h14H,2-11H2,1H3
InChIKeyWFRIEQLRYDMBJZ-UHFFFAOYSA-N
XLogP0.40
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[4-(2-methoxyethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62937175) is 2-[4-(2-methoxyethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[4-(2-methoxyethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[4-(2-methoxyethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is COCCNCCCCn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-[4-(2-methoxyethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is WFRIEQLRYDMBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-19-11-8-14-7-3-5-10-17-13(18)16-9-4-2-6-12(16)15-17/h14H,2-11H2,1H3.
What are the key properties of 2-[4-(2-methoxyethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[4-(2-methoxyethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 268.36 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62937175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).