1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione

C5H4N4O2 — CID 11019049

IUPAC1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESO=c1[nH]c(=O)n2ccnc2[nH]1
InChIInChI=1S/C5H4N4O2/c10-4-7-3-6-1-2-9(3)5(11)8-4/h1-2H,(H2,6,7,8,10,11)
InChIKeyOIWAVYDCTUEOEC-UHFFFAOYSA-N
MW152.11 g/mol
LogP-1.29
Rot. Bonds

About 1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione

1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione (PubChem CID 11019049) has the molecular formula C5H4N4O2 and a molecular weight of 152.11 g/mol. Its IUPAC name is 1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione
PubChem CID11019049
Molecular FormulaC5H4N4O2
Molecular Weight152.11 g/mol
Exact Mass152.03
IUPAC Name1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESO=c1[nH]c(=O)n2ccnc2[nH]1
InChIInChI=1S/C5H4N4O2/c10-4-7-3-6-1-2-9(3)5(11)8-4/h1-2H,(H2,6,7,8,10,11)
InChIKeyOIWAVYDCTUEOEC-UHFFFAOYSA-N
XLogP-1.29
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione (CID 11019049) is 1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione is O=c1[nH]c(=O)n2ccnc2[nH]1.
What is the InChIKey of 1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione?
The InChIKey is OIWAVYDCTUEOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2/c10-4-7-3-6-1-2-9(3)5(11)8-4/h1-2H,(H2,6,7,8,10,11).
What are the key properties of 1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione?
1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione has a molecular weight of 152.11 g/mol, XLogP of -1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 11019049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).