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

C19H19FN6O — CID 139421691

IUPAC4-[(2,6-dimethyl-3-pyridinyl)imino]-6-(4-fluorophenyl)-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCc1ccc(/N=C2\NC(=O)N(C)C3=NCC(c4ccc(F)cc4)N32)c(C)n1
InChIInChI=1S/C19H19FN6O/c1-11-4-9-15(12(2)22-11)23-17-24-19(27)25(3)18-21-10-16(26(17)18)13-5-7-14(20)8-6-13/h4-9,16H,10H2,1-3H3,(H,23,24,27)
InChIKeyIMADCNIKFIKZFM-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.89
Rot. Bonds2

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

4-[(2,6-dimethyl-3-pyridinyl)imino]-6-(4-fluorophenyl)-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one (PubChem CID 139421691) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-3-pyridinyl)imino]-6-(4-fluorophenyl)-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one.

Molecular Properties

Compound Name4-[(2,6-dimethyl-3-pyridinyl)imino]-6-(4-fluorophenyl)-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
PubChem CID139421691
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name4-[(2,6-dimethyl-3-pyridinyl)imino]-6-(4-fluorophenyl)-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCc1ccc(/N=C2\NC(=O)N(C)C3=NCC(c4ccc(F)cc4)N32)c(C)n1
InChIInChI=1S/C19H19FN6O/c1-11-4-9-15(12(2)22-11)23-17-24-19(27)25(3)18-21-10-16(26(17)18)13-5-7-14(20)8-6-13/h4-9,16H,10H2,1-3H3,(H,23,24,27)
InChIKeyIMADCNIKFIKZFM-UHFFFAOYSA-N
XLogP2.89
TPSA73.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)imino]-6-(4-fluorophenyl)-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)imino]-6-(4-fluorophenyl)-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one (CID 139421691) is 4-[(2,6-dimethyl-3-pyridinyl)imino]-6-(4-fluorophenyl)-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one.
What is the SMILES notation for 4-[(2,6-dimethyl-3-pyridinyl)imino]-6-(4-fluorophenyl)-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The canonical SMILES for 4-[(2,6-dimethyl-3-pyridinyl)imino]-6-(4-fluorophenyl)-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one is Cc1ccc(/N=C2\NC(=O)N(C)C3=NCC(c4ccc(F)cc4)N32)c(C)n1.
What is the InChIKey of 4-[(2,6-dimethyl-3-pyridinyl)imino]-6-(4-fluorophenyl)-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The InChIKey is IMADCNIKFIKZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-11-4-9-15(12(2)22-11)23-17-24-19(27)25(3)18-21-10-16(26(17)18)13-5-7-14(20)8-6-13/h4-9,16H,10H2,1-3H3,(H,23,24,27).
What are the key properties of 4-[(2,6-dimethyl-3-pyridinyl)imino]-6-(4-fluorophenyl)-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
4-[(2,6-dimethyl-3-pyridinyl)imino]-6-(4-fluorophenyl)-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one has a molecular weight of 366.40 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-3-pyridinyl)imino]-6-(4-fluorophenyl)-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one is sourced from PubChem (CID 139421691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).