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

C9H14N4O2 — CID 126722734

IUPAC8-tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCC(C)(C)N1C=CN2C(=O)NC(=O)NC21
InChIInChI=1S/C9H14N4O2/c1-9(2,3)13-5-4-12-7(13)10-6(14)11-8(12)15/h4-5,7H,1-3H3,(H2,10,11,14,15)
InChIKeyCSLVOUQWGAQKCC-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.59
Rot. Bonds

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

8-tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione (PubChem CID 126722734) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 8-tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name8-tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
PubChem CID126722734
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name8-tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCC(C)(C)N1C=CN2C(=O)NC(=O)NC21
InChIInChI=1S/C9H14N4O2/c1-9(2,3)13-5-4-12-7(13)10-6(14)11-8(12)15/h4-5,7H,1-3H3,(H2,10,11,14,15)
InChIKeyCSLVOUQWGAQKCC-UHFFFAOYSA-N
XLogP0.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 8-tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione (CID 126722734) is 8-tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 8-tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 8-tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione is CC(C)(C)N1C=CN2C(=O)NC(=O)NC21.
What is the InChIKey of 8-tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The InChIKey is CSLVOUQWGAQKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-9(2,3)13-5-4-12-7(13)10-6(14)11-8(12)15/h4-5,7H,1-3H3,(H2,10,11,14,15).
What are the key properties of 8-tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
8-tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione has a molecular weight of 210.24 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 126722734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).