1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione

C9H6N4O2 — CID 135727399

IUPAC1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione
SMILESO=c1[nH]c(=O)n2c(nc3ccccc32)[nH]1
InChIInChI=1S/C9H6N4O2/c14-8-11-7-10-5-3-1-2-4-6(5)13(7)9(15)12-8/h1-4H,(H2,10,11,12,14,15)
InChIKeyDIQZMLDKTDQLED-UHFFFAOYSA-N
MW202.17 g/mol
LogP-0.14
Rot. Bonds

About 1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione

1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione (PubChem CID 135727399) has the molecular formula C9H6N4O2 and a molecular weight of 202.17 g/mol. Its IUPAC name is 1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione.

Molecular Properties

Compound Name1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione
PubChem CID135727399
Molecular FormulaC9H6N4O2
Molecular Weight202.17 g/mol
Exact Mass202.05
IUPAC Name1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione
SMILESO=c1[nH]c(=O)n2c(nc3ccccc32)[nH]1
InChIInChI=1S/C9H6N4O2/c14-8-11-7-10-5-3-1-2-4-6(5)13(7)9(15)12-8/h1-4H,(H2,10,11,12,14,15)
InChIKeyDIQZMLDKTDQLED-UHFFFAOYSA-N
XLogP-0.14
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione?
The IUPAC name of 1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione (CID 135727399) is 1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione.
What is the SMILES notation for 1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione?
The canonical SMILES for 1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione is O=c1[nH]c(=O)n2c(nc3ccccc32)[nH]1.
What is the InChIKey of 1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione?
The InChIKey is DIQZMLDKTDQLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O2/c14-8-11-7-10-5-3-1-2-4-6(5)13(7)9(15)12-8/h1-4H,(H2,10,11,12,14,15).
What are the key properties of 1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione?
1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione has a molecular weight of 202.17 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione is sourced from PubChem (CID 135727399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).