8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione

C6H8N4O2 — CID 89056558

IUPAC8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCN1C=CN2C(=O)NC(=O)NC12
InChIInChI=1S/C6H8N4O2/c1-9-2-3-10-5(9)7-4(11)8-6(10)12/h2-3,5H,1H3,(H2,7,8,11,12)
InChIKeyPKNOYMZZULVKKI-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.58
Rot. Bonds

About 8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione

8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione (PubChem CID 89056558) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
PubChem CID89056558
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCN1C=CN2C(=O)NC(=O)NC12
InChIInChI=1S/C6H8N4O2/c1-9-2-3-10-5(9)7-4(11)8-6(10)12/h2-3,5H,1H3,(H2,7,8,11,12)
InChIKeyPKNOYMZZULVKKI-UHFFFAOYSA-N
XLogP-0.58
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Bis(ethenyl)-1,3,5-triazinane-2,4,6-trione
CID 139664502
2-Hydroxy-N-methyl-1H-imidazole-1-carboxamide
CID 21453092
1-Ethenyl-1,3,5-triazinane-2,4,6-trione
CID 23513449
8-Propan-2-yl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
CID 58528115
1-(Ethenylcarbamoyl)-1,3-dimethylurea
CID 58598634
4-Amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 59082600
N,N-Dimethyl-2-oxo-2,3-dihydro-1H-imidazole-1-carboxamide
CID 71397974
8-Propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 90275221
8-Methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 90277110
8-Tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
CID 126722734
1-Ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione
CID 139664501
4-Imino-8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 142872546

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione (CID 89056558) is 8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione is CN1C=CN2C(=O)NC(=O)NC12.
What is the InChIKey of 8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The InChIKey is PKNOYMZZULVKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-9-2-3-10-5(9)7-4(11)8-6(10)12/h2-3,5H,1H3,(H2,7,8,11,12).
What are the key properties of 8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione has a molecular weight of 168.16 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 89056558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).