2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide

C14H16N6O2 — CID 6459773

IUPAC2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide
SMILESCN(C)c1nc2n(c(=O)n1)CCN2C(=O)Nc1ccccc1
InChIInChI=1S/C14H16N6O2/c1-18(2)11-16-12-19(8-9-20(12)14(22)17-11)13(21)15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,21)
InChIKeyCMYCSDSJPLMCAZ-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.76
Rot. Bonds2

About 2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide

2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide (PubChem CID 6459773) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide
PubChem CID6459773
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide
SMILESCN(C)c1nc2n(c(=O)n1)CCN2C(=O)Nc1ccccc1
InChIInChI=1S/C14H16N6O2/c1-18(2)11-16-12-19(8-9-20(12)14(22)17-11)13(21)15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,21)
InChIKeyCMYCSDSJPLMCAZ-UHFFFAOYSA-N
XLogP0.76
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide (CID 6459773) is 2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide is CN(C)c1nc2n(c(=O)n1)CCN2C(=O)Nc1ccccc1.
What is the InChIKey of 2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide?
The InChIKey is CMYCSDSJPLMCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-18(2)11-16-12-19(8-9-20(12)14(22)17-11)13(21)15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,21).
What are the key properties of 2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide?
2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-oxo-N-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide is sourced from PubChem (CID 6459773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).