2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C12H19N5O2 — CID 66273902

IUPAC2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOCCNCCCCn1nc2cnccn2c1=O
InChIInChI=1S/C12H19N5O2/c1-19-9-6-13-4-2-3-7-17-12(18)16-8-5-14-10-11(16)15-17/h5,8,10,13H,2-4,6-7,9H2,1H3
InChIKeyOSLLYZKOHJSTCU-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.09
Rot. Bonds8

About 2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66273902) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66273902
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOCCNCCCCn1nc2cnccn2c1=O
InChIInChI=1S/C12H19N5O2/c1-19-9-6-13-4-2-3-7-17-12(18)16-8-5-14-10-11(16)15-17/h5,8,10,13H,2-4,6-7,9H2,1H3
InChIKeyOSLLYZKOHJSTCU-UHFFFAOYSA-N
XLogP-0.09
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66273902) is 2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COCCNCCCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is OSLLYZKOHJSTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-19-9-6-13-4-2-3-7-17-12(18)16-8-5-14-10-11(16)15-17/h5,8,10,13H,2-4,6-7,9H2,1H3.
What are the key properties of 2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 265.32 g/mol, XLogP of -0.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66273902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).