2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one

C8H13N5O — CID 777157

IUPAC2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCN(C)c1nc2n(c(=O)n1)CCN2C
InChIInChI=1S/C8H13N5O/c1-11(2)6-9-7-12(3)4-5-13(7)8(14)10-6/h4-5H2,1-3H3
InChIKeyUQDMUKXLGKQOSE-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.85
Rot. Bonds1

About 2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one

2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 777157) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID777157
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCN(C)c1nc2n(c(=O)n1)CCN2C
InChIInChI=1S/C8H13N5O/c1-11(2)6-9-7-12(3)4-5-13(7)8(14)10-6/h4-5H2,1-3H3
InChIKeyUQDMUKXLGKQOSE-UHFFFAOYSA-N
XLogP-0.85
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one (CID 777157) is 2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one is CN(C)c1nc2n(c(=O)n1)CCN2C.
What is the InChIKey of 2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is UQDMUKXLGKQOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-11(2)6-9-7-12(3)4-5-13(7)8(14)10-6/h4-5H2,1-3H3.
What are the key properties of 2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 195.23 g/mol, XLogP of -0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 777157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).