8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione

C6H6N4O2 — CID 19745993

IUPAC8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCn1ccn2c(=O)[nH]c(=O)nc12
InChIInChI=1S/C6H6N4O2/c1-9-2-3-10-5(9)7-4(11)8-6(10)12/h2-3H,1H3,(H,8,11,12)
InChIKeyOCPVCAWJMHZIDT-UHFFFAOYSA-N
MW166.14 g/mol
LogP-1.28
Rot. Bonds

About 8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione

8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione (PubChem CID 19745993) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione
PubChem CID19745993
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCn1ccn2c(=O)[nH]c(=O)nc12
InChIInChI=1S/C6H6N4O2/c1-9-2-3-10-5(9)7-4(11)8-6(10)12/h2-3H,1H3,(H,8,11,12)
InChIKeyOCPVCAWJMHZIDT-UHFFFAOYSA-N
XLogP-1.28
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione (CID 19745993) is 8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione is Cn1ccn2c(=O)[nH]c(=O)nc12.
What is the InChIKey of 8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The InChIKey is OCPVCAWJMHZIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-9-2-3-10-5(9)7-4(11)8-6(10)12/h2-3H,1H3,(H,8,11,12).
What are the key properties of 8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione?
8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione has a molecular weight of 166.14 g/mol, XLogP of -1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylimidazo[1,2-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 19745993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).