6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one

C19H18F2N6O — CID 139421740

IUPAC6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCc1ccc(/N=C2\NC(=O)N(C)C3=NCC(c4cc(F)cc(F)c4)N32)c(C)n1
InChIInChI=1S/C19H18F2N6O/c1-10-4-5-15(11(2)23-10)24-17-25-19(28)26(3)18-22-9-16(27(17)18)12-6-13(20)8-14(21)7-12/h4-8,16H,9H2,1-3H3,(H,24,25,28)
InChIKeyVUMBARCLAHMACD-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.03
Rot. Bonds2

About 6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one

6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one (PubChem CID 139421740) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
PubChem CID139421740
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC Name6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCc1ccc(/N=C2\NC(=O)N(C)C3=NCC(c4cc(F)cc(F)c4)N32)c(C)n1
InChIInChI=1S/C19H18F2N6O/c1-10-4-5-15(11(2)23-10)24-17-25-19(28)26(3)18-22-9-16(27(17)18)12-6-13(20)8-14(21)7-12/h4-8,16H,9H2,1-3H3,(H,24,25,28)
InChIKeyVUMBARCLAHMACD-UHFFFAOYSA-N
XLogP3.03
TPSA73.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-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 6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The IUPAC name of 6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one (CID 139421740) is 6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one is Cc1ccc(/N=C2\NC(=O)N(C)C3=NCC(c4cc(F)cc(F)c4)N32)c(C)n1.
What is the InChIKey of 6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The InChIKey is VUMBARCLAHMACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c1-10-4-5-15(11(2)23-10)24-17-25-19(28)26(3)18-22-9-16(27(17)18)12-6-13(20)8-14(21)7-12/h4-8,16H,9H2,1-3H3,(H,24,25,28).
What are the key properties of 6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one has a molecular weight of 384.39 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-4-[(2,6-dimethyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one is sourced from PubChem (CID 139421740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).