6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione

C20H16FN5O3 — CID 1471579

IUPAC6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione
SMILESCOc1cccc(-n2nc(-c3ccnn3-c3ccc(F)cc3)c(=O)n(C)c2=O)c1
InChIInChI=1S/C20H16FN5O3/c1-24-19(27)18(17-10-11-22-25(17)14-8-6-13(21)7-9-14)23-26(20(24)28)15-4-3-5-16(12-15)29-2/h3-12H,1-2H3
InChIKeyYHCQESVGZYDCOO-UHFFFAOYSA-N
MW393.38 g/mol
LogP1.93
Rot. Bonds4

About 6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione

6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione (PubChem CID 1471579) has the molecular formula C20H16FN5O3 and a molecular weight of 393.38 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione
PubChem CID1471579
Molecular FormulaC20H16FN5O3
Molecular Weight393.38 g/mol
Exact Mass393.12
IUPAC Name6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione
SMILESCOc1cccc(-n2nc(-c3ccnn3-c3ccc(F)cc3)c(=O)n(C)c2=O)c1
InChIInChI=1S/C20H16FN5O3/c1-24-19(27)18(17-10-11-22-25(17)14-8-6-13(21)7-9-14)23-26(20(24)28)15-4-3-5-16(12-15)29-2/h3-12H,1-2H3
InChIKeyYHCQESVGZYDCOO-UHFFFAOYSA-N
XLogP1.93
TPSA83.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione (CID 1471579) is 6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione is COc1cccc(-n2nc(-c3ccnn3-c3ccc(F)cc3)c(=O)n(C)c2=O)c1.
What is the InChIKey of 6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is YHCQESVGZYDCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3/c1-24-19(27)18(17-10-11-22-25(17)14-8-6-13(21)7-9-14)23-26(20(24)28)15-4-3-5-16(12-15)29-2/h3-12H,1-2H3.
What are the key properties of 6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione?
6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 393.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 1471579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).