2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C11H17N5O2 — CID 66273487

IUPAC2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOCCCNCCn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O2/c1-18-8-2-3-12-5-7-16-11(17)15-6-4-13-9-10(15)14-16/h4,6,9,12H,2-3,5,7-8H2,1H3
InChIKeyMXQHHCAZLYIGAS-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.48
Rot. Bonds7

About 2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66273487) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66273487
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOCCCNCCn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O2/c1-18-8-2-3-12-5-7-16-11(17)15-6-4-13-9-10(15)14-16/h4,6,9,12H,2-3,5,7-8H2,1H3
InChIKeyMXQHHCAZLYIGAS-UHFFFAOYSA-N
XLogP-0.48
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-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-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66273487) is 2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COCCCNCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is MXQHHCAZLYIGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-18-8-2-3-12-5-7-16-11(17)15-6-4-13-9-10(15)14-16/h4,6,9,12H,2-3,5,7-8H2,1H3.
What are the key properties of 2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 251.29 g/mol, XLogP of -0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66273487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).