8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one

C6H10N4O — CID 90277110

IUPAC8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCN1C=CN2CNC(=O)NC12
InChIInChI=1S/C6H10N4O/c1-9-2-3-10-4-7-5(11)8-6(9)10/h2-3,6H,4H2,1H3,(H2,7,8,11)
InChIKeyKLEUJXNWBDYEBR-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.74
Rot. Bonds

About 8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one

8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one (PubChem CID 90277110) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one.

Molecular Properties

Compound Name8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one
PubChem CID90277110
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCN1C=CN2CNC(=O)NC12
InChIInChI=1S/C6H10N4O/c1-9-2-3-10-4-7-5(11)8-6(9)10/h2-3,6H,4H2,1H3,(H2,7,8,11)
InChIKeyKLEUJXNWBDYEBR-UHFFFAOYSA-N
XLogP-0.74
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one?
The IUPAC name of 8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one (CID 90277110) is 8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one.
What is the SMILES notation for 8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one?
The canonical SMILES for 8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one is CN1C=CN2CNC(=O)NC12.
What is the InChIKey of 8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one?
The InChIKey is KLEUJXNWBDYEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-9-2-3-10-4-7-5(11)8-6(9)10/h2-3,6H,4H2,1H3,(H2,7,8,11).
What are the key properties of 8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one?
8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one has a molecular weight of 154.17 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one is sourced from PubChem (CID 90277110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).