8-propan-2-yl-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione

C8H12N4O2 — CID 118259856

IUPAC8-propan-2-yl-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCC(C)C1N=CN2C(=O)NC(=O)NC12
InChIInChI=1S/C8H12N4O2/c1-4(2)5-6-10-7(13)11-8(14)12(6)3-9-5/h3-6H,1-2H3,(H2,10,11,13,14)
InChIKeyCFAKBFJOBLRNNB-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.11
Rot. Bonds1

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

8-propan-2-yl-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione (PubChem CID 118259856) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 8-propan-2-yl-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name8-propan-2-yl-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione
PubChem CID118259856
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name8-propan-2-yl-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCC(C)C1N=CN2C(=O)NC(=O)NC12
InChIInChI=1S/C8H12N4O2/c1-4(2)5-6-10-7(13)11-8(14)12(6)3-9-5/h3-6H,1-2H3,(H2,10,11,13,14)
InChIKeyCFAKBFJOBLRNNB-UHFFFAOYSA-N
XLogP0.11
TPSA73.80 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 ≤ 50.11
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-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 8-propan-2-yl-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione (CID 118259856) is 8-propan-2-yl-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 8-propan-2-yl-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 8-propan-2-yl-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione is CC(C)C1N=CN2C(=O)NC(=O)NC12.
What is the InChIKey of 8-propan-2-yl-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione?
The InChIKey is CFAKBFJOBLRNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-4(2)5-6-10-7(13)11-8(14)12(6)3-9-5/h3-6H,1-2H3,(H2,10,11,13,14).
What are the key properties of 8-propan-2-yl-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione?
8-propan-2-yl-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of 0.11, 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-8,8a-dihydro-1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 118259856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).