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

C6H6N4O2 — CID 91666063

IUPAC6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCc1cnc2[nH]c(=O)[nH]c(=O)n12
InChIInChI=1S/C6H6N4O2/c1-3-2-7-4-8-5(11)9-6(12)10(3)4/h2H,1H3,(H2,7,8,9,11,12)
InChIKeyHTNSGUAKEYEURZ-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.98
Rot. Bonds

About 6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione

6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione (PubChem CID 91666063) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione
PubChem CID91666063
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCc1cnc2[nH]c(=O)[nH]c(=O)n12
InChIInChI=1S/C6H6N4O2/c1-3-2-7-4-8-5(11)9-6(12)10(3)4/h2H,1H3,(H2,7,8,9,11,12)
InChIKeyHTNSGUAKEYEURZ-UHFFFAOYSA-N
XLogP-0.98
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione (CID 91666063) is 6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione is Cc1cnc2[nH]c(=O)[nH]c(=O)n12.
What is the InChIKey of 6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione?
The InChIKey is HTNSGUAKEYEURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-3-2-7-4-8-5(11)9-6(12)10(3)4/h2H,1H3,(H2,7,8,9,11,12).
What are the key properties of 6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione?
6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione has a molecular weight of 166.14 g/mol, XLogP of -0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 91666063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).