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

C11H17N5O — CID 66271347

IUPAC2-[4-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCNCCCCn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O/c1-2-12-5-3-4-7-16-11(17)15-8-6-13-9-10(15)14-16/h6,8-9,12H,2-5,7H2,1H3
InChIKeyKWKUFMZFCHRDCP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.28
Rot. Bonds6

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

2-[4-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271347) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[4-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271347
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[4-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCNCCCCn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O/c1-2-12-5-3-4-7-16-11(17)15-8-6-13-9-10(15)14-16/h6,8-9,12H,2-5,7H2,1H3
InChIKeyKWKUFMZFCHRDCP-UHFFFAOYSA-N
XLogP0.28
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-(ethylamino)butyl]-[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

Related Compounds

2-Butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 68675530
2-[4-(Methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271110
2-[5-(Propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271111
2-[5-(Ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271112
2-[4-(Propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271113
2-[3-(Methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271114
2-[2-(Methylamino)butyl][1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
CID 66271115
2-[2-[2-(Dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271134
2-(4-Amino-3,3-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271317
2-[2-Cyclopropyl-2-(ethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271321
2-[2-(Propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271323
2-[2-(3-Methylbutylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271344

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[4-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271347) is 2-[4-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[4-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[4-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCNCCCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[4-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is KWKUFMZFCHRDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-12-5-3-4-7-16-11(17)15-8-6-13-9-10(15)14-16/h6,8-9,12H,2-5,7H2,1H3.
What are the key properties of 2-[4-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[4-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 235.29 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).