8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one

C9H13N5O2 — CID 6461120

IUPAC8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCC(=O)N1CCn2c1nc(N(C)C)nc2=O
InChIInChI=1S/C9H13N5O2/c1-6(15)13-4-5-14-8(13)10-7(12(2)3)11-9(14)16/h4-5H2,1-3H3
InChIKeyDTWDGQSDOLRHNP-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.93
Rot. Bonds1

About 8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one

8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 6461120) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID6461120
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCC(=O)N1CCn2c1nc(N(C)C)nc2=O
InChIInChI=1S/C9H13N5O2/c1-6(15)13-4-5-14-8(13)10-7(12(2)3)11-9(14)16/h4-5H2,1-3H3
InChIKeyDTWDGQSDOLRHNP-UHFFFAOYSA-N
XLogP-0.93
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-acetyl-2-(dimethylamino)-6,7-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 8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one (CID 6461120) is 8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one is CC(=O)N1CCn2c1nc(N(C)C)nc2=O.
What is the InChIKey of 8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is DTWDGQSDOLRHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-6(15)13-4-5-14-8(13)10-7(12(2)3)11-9(14)16/h4-5H2,1-3H3.
What are the key properties of 8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 223.24 g/mol, XLogP of -0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-(dimethylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 6461120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).