2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one

C9H15N5O — CID 163817554

IUPAC2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCC(C)(C)N1C=CN2C(=O)NC(N)=NC21
InChIInChI=1S/C9H15N5O/c1-9(2,3)14-5-4-13-7(14)11-6(10)12-8(13)15/h4-5,7H,1-3H3,(H3,10,11,12,15)
InChIKeyNSPRNWBBUQUQPJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.20
Rot. Bonds

About 2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one

2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 163817554) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID163817554
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCC(C)(C)N1C=CN2C(=O)NC(N)=NC21
InChIInChI=1S/C9H15N5O/c1-9(2,3)14-5-4-13-7(14)11-6(10)12-8(13)15/h4-5,7H,1-3H3,(H3,10,11,12,15)
InChIKeyNSPRNWBBUQUQPJ-UHFFFAOYSA-N
XLogP0.20
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-8-tert-butyl-3,8a-dihydroimidazo[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-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one (CID 163817554) is 2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one is CC(C)(C)N1C=CN2C(=O)NC(N)=NC21.
What is the InChIKey of 2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is NSPRNWBBUQUQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-9(2,3)14-5-4-13-7(14)11-6(10)12-8(13)15/h4-5,7H,1-3H3,(H3,10,11,12,15).
What are the key properties of 2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 209.25 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-tert-butyl-3,8a-dihydroimidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 163817554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).