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

C8H14N4O — CID 90275221

IUPAC8-propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCC(C)N1C=CN2CNC(=O)NC21
InChIInChI=1S/C8H14N4O/c1-6(2)12-4-3-11-5-9-7(13)10-8(11)12/h3-4,6,8H,5H2,1-2H3,(H2,9,10,13)
InChIKeyAFGSESYJTFFXFJ-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.04
Rot. Bonds1

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

8-propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one (PubChem CID 90275221) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 8-propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one.

Molecular Properties

Compound Name8-propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one
PubChem CID90275221
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name8-propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCC(C)N1C=CN2CNC(=O)NC21
InChIInChI=1S/C8H14N4O/c1-6(2)12-4-3-11-5-9-7(13)10-8(11)12/h3-4,6,8H,5H2,1-2H3,(H2,9,10,13)
InChIKeyAFGSESYJTFFXFJ-UHFFFAOYSA-N
XLogP0.04
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one?
The IUPAC name of 8-propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one (CID 90275221) is 8-propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one.
What is the SMILES notation for 8-propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one?
The canonical SMILES for 8-propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one is CC(C)N1C=CN2CNC(=O)NC21.
What is the InChIKey of 8-propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one?
The InChIKey is AFGSESYJTFFXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(2)12-4-3-11-5-9-7(13)10-8(11)12/h3-4,6,8H,5H2,1-2H3,(H2,9,10,13).
What are the key properties of 8-propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one?
8-propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one has a molecular weight of 182.23 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one is sourced from PubChem (CID 90275221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).