1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone

C19H19FN4O2 — CID 2973644

IUPAC1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone
SMILESCOCC(=O)n1nc(-c2ccc(C)cc2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C19H19FN4O2/c1-13-3-7-15(8-4-13)18-22-19(24(23-18)17(25)12-26-2)21-11-14-5-9-16(20)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,22,23)
InChIKeyUDYFGFPILZRBOW-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.29
Rot. Bonds6

About 1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone

1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone (PubChem CID 2973644) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone
PubChem CID2973644
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone
SMILESCOCC(=O)n1nc(-c2ccc(C)cc2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C19H19FN4O2/c1-13-3-7-15(8-4-13)18-22-19(24(23-18)17(25)12-26-2)21-11-14-5-9-16(20)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,22,23)
InChIKeyUDYFGFPILZRBOW-UHFFFAOYSA-N
XLogP3.29
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

N-[4-(dimethylamino)benzyl]-1-(methoxyacetyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 2971828
N-benzyl-3-phenyl-1-propionyl-1H-1,2,4-triazol-5-amine
CID 970657
1-acetyl-N-(4-fluorobenzyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 970076
N-benzyl-1-(methoxyacetyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 978166
N-(4-fluorobenzyl)-1-(methoxyacetyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 2209252
1-acetyl-N-(4-fluorobenzyl)-3-(4-methylphenyl)-1H-1,2,4-triazol-5-amine
CID 2973030
3-(4-chlorophenyl)-N-(4-fluorobenzyl)-1-(methoxyacetyl)-1H-1,2,4-triazol-5-amine
CID 2212071
1-[5-(Benzylamino)-3-(2-fluorophenyl)-1,2,4-triazol-1-yl]propan-1-one
CID 142770568
N-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
CID 44318818
N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylmorpholine-2-carboxamide
CID 71973228
1-{3,5-bis[(4-fluorobenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-methoxyethanone
CID 7333811
1-(5-{[(4-Fluorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-YL)propan-1-one
CID 22332243

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone (CID 2973644) is 1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone is COCC(=O)n1nc(-c2ccc(C)cc2)nc1NCc1ccc(F)cc1.
What is the InChIKey of 1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone?
The InChIKey is UDYFGFPILZRBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-13-3-7-15(8-4-13)18-22-19(24(23-18)17(25)12-26-2)21-11-14-5-9-16(20)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,22,23).
What are the key properties of 1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone?
1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone has a molecular weight of 354.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-fluorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone is sourced from PubChem (CID 2973644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).