N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide

C19H19FN4O2 — CID 31973640

IUPACN-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCc1ccc(N2NC(C(=O)NCCc3ccc(F)cc3)=NCC2=O)cc1
InChIInChI=1S/C19H19FN4O2/c1-13-2-8-16(9-3-13)24-17(25)12-22-18(23-24)19(26)21-11-10-14-4-6-15(20)7-5-14/h2-9H,10-12H2,1H3,(H,21,26)(H,22,23)
InChIKeyKEUIFHVDAJZEIY-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.74
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 31973640) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID31973640
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCc1ccc(N2NC(C(=O)NCCc3ccc(F)cc3)=NCC2=O)cc1
InChIInChI=1S/C19H19FN4O2/c1-13-2-8-16(9-3-13)24-17(25)12-22-18(23-24)19(26)21-11-10-14-4-6-15(20)7-5-14/h2-9H,10-12H2,1H3,(H,21,26)(H,22,23)
InChIKeyKEUIFHVDAJZEIY-UHFFFAOYSA-N
XLogP1.74
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 31973640) is N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide is Cc1ccc(N2NC(C(=O)NCCc3ccc(F)cc3)=NCC2=O)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is KEUIFHVDAJZEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-13-2-8-16(9-3-13)24-17(25)12-22-18(23-24)19(26)21-11-10-14-4-6-15(20)7-5-14/h2-9H,10-12H2,1H3,(H,21,26)(H,22,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 31973640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).