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

C19H19FN6O2 — CID 139421315

IUPAC6-(4-fluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCOc1ccc(/N=C2\NC(=O)N(C)C3=NCC(c4ccc(F)cc4)N32)c(C)n1
InChIInChI=1S/C19H19FN6O2/c1-11-14(8-9-16(22-11)28-3)23-17-24-19(27)25(2)18-21-10-15(26(17)18)12-4-6-13(20)7-5-12/h4-9,15H,10H2,1-3H3,(H,23,24,27)
InChIKeyRLWXALBKDRAYPY-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.59
Rot. Bonds3

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

6-(4-fluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one (PubChem CID 139421315) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
PubChem CID139421315
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name6-(4-fluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCOc1ccc(/N=C2\NC(=O)N(C)C3=NCC(c4ccc(F)cc4)N32)c(C)n1
InChIInChI=1S/C19H19FN6O2/c1-11-14(8-9-16(22-11)28-3)23-17-24-19(27)25(2)18-21-10-15(26(17)18)12-4-6-13(20)7-5-12/h4-9,15H,10H2,1-3H3,(H,23,24,27)
InChIKeyRLWXALBKDRAYPY-UHFFFAOYSA-N
XLogP2.59
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-(4-fluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one (CID 139421315) is 6-(4-fluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one is COc1ccc(/N=C2\NC(=O)N(C)C3=NCC(c4ccc(F)cc4)N32)c(C)n1.
What is the InChIKey of 6-(4-fluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The InChIKey is RLWXALBKDRAYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-11-14(8-9-16(22-11)28-3)23-17-24-19(27)25(2)18-21-10-15(26(17)18)12-4-6-13(20)7-5-12/h4-9,15H,10H2,1-3H3,(H,23,24,27).
What are the key properties of 6-(4-fluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
6-(4-fluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one has a molecular weight of 382.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one is sourced from PubChem (CID 139421315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).