2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one

C11H17N5O — CID 10263477

IUPAC2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCCCCCCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C11H17N5O/c1-2-3-4-5-6-15-7-8-16-10(15)13-9(12)14-11(16)17/h7-8H,2-6H2,1H3,(H2,12,14,17)
InChIKeyLYOZLAZJDLJDBN-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.05
Rot. Bonds5

About 2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one

2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 10263477) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID10263477
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCCCCCCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C11H17N5O/c1-2-3-4-5-6-15-7-8-16-10(15)13-9(12)14-11(16)17/h7-8H,2-6H2,1H3,(H2,12,14,17)
InChIKeyLYOZLAZJDLJDBN-UHFFFAOYSA-N
XLogP1.05
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-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-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one (CID 10263477) is 2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one is CCCCCCn1ccn2c(=O)nc(N)nc12.
What is the InChIKey of 2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is LYOZLAZJDLJDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-3-4-5-6-15-7-8-16-10(15)13-9(12)14-11(16)17/h7-8H,2-6H2,1H3,(H2,12,14,17).
What are the key properties of 2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one?
2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 235.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-hexylimidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 10263477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).