1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one

C15H15N5O — CID 10062252

IUPAC1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one
SMILESCC(=O)CNc1nc(-c2ccccc2)nc2nc(C)cn12
InChIInChI=1S/C15H15N5O/c1-10-9-20-14(16-8-11(2)21)18-13(19-15(20)17-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,18,19)
InChIKeyVGUQKUXXKQGMDW-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.10
Rot. Bonds4

About 1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one

1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one (PubChem CID 10062252) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one
PubChem CID10062252
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one
SMILESCC(=O)CNc1nc(-c2ccccc2)nc2nc(C)cn12
InChIInChI=1S/C15H15N5O/c1-10-9-20-14(16-8-11(2)21)18-13(19-15(20)17-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,18,19)
InChIKeyVGUQKUXXKQGMDW-UHFFFAOYSA-N
XLogP2.10
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one?
The IUPAC name of 1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one (CID 10062252) is 1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one.
What is the SMILES notation for 1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one?
The canonical SMILES for 1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one is CC(=O)CNc1nc(-c2ccccc2)nc2nc(C)cn12.
What is the InChIKey of 1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one?
The InChIKey is VGUQKUXXKQGMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-9-20-14(16-8-11(2)21)18-13(19-15(20)17-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,18,19).
What are the key properties of 1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one?
1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one has a molecular weight of 281.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)amino]propan-2-one is sourced from PubChem (CID 10062252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).