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

C8H12N4O2 — CID 58528115

IUPAC8-propan-2-yl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCC(C)N1C=CN2C(=O)NC(=O)NC21
InChIInChI=1S/C8H12N4O2/c1-5(2)11-3-4-12-7(11)9-6(13)10-8(12)14/h3-5,7H,1-2H3,(H2,9,10,13,14)
InChIKeyKLALUEJTAWHKDP-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.20
Rot. Bonds1

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

8-propan-2-yl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione (PubChem CID 58528115) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 8-propan-2-yl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name8-propan-2-yl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
PubChem CID58528115
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name8-propan-2-yl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCC(C)N1C=CN2C(=O)NC(=O)NC21
InChIInChI=1S/C8H12N4O2/c1-5(2)11-3-4-12-7(11)9-6(13)10-8(12)14/h3-5,7H,1-2H3,(H2,9,10,13,14)
InChIKeyKLALUEJTAWHKDP-UHFFFAOYSA-N
XLogP0.20
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.20
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-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 8-propan-2-yl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione (CID 58528115) is 8-propan-2-yl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 8-propan-2-yl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 8-propan-2-yl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione is CC(C)N1C=CN2C(=O)NC(=O)NC21.
What is the InChIKey of 8-propan-2-yl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The InChIKey is KLALUEJTAWHKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5(2)11-3-4-12-7(11)9-6(13)10-8(12)14/h3-5,7H,1-2H3,(H2,9,10,13,14).
What are the key properties of 8-propan-2-yl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
8-propan-2-yl-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of 0.20, 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-1,8a-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 58528115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).