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

C12H12FN3O3 — CID 82554376

IUPAC6-[(4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(CCO)nc1Cc1ccc(F)cc1
InChIInChI=1S/C12H12FN3O3/c13-9-3-1-8(2-4-9)7-10-11(18)14-12(19)16(15-10)5-6-17/h1-4,17H,5-7H2,(H,14,18,19)
InChIKeyREBHENSRPXTIGM-UHFFFAOYSA-N
MW265.24 g/mol
LogP-0.35
Rot. Bonds4

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

6-[(4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione (PubChem CID 82554376) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione
PubChem CID82554376
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name6-[(4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(CCO)nc1Cc1ccc(F)cc1
InChIInChI=1S/C12H12FN3O3/c13-9-3-1-8(2-4-9)7-10-11(18)14-12(19)16(15-10)5-6-17/h1-4,17H,5-7H2,(H,14,18,19)
InChIKeyREBHENSRPXTIGM-UHFFFAOYSA-N
XLogP-0.35
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione (CID 82554376) is 6-[(4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione is O=c1[nH]c(=O)n(CCO)nc1Cc1ccc(F)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione?
The InChIKey is REBHENSRPXTIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c13-9-3-1-8(2-4-9)7-10-11(18)14-12(19)16(15-10)5-6-17/h1-4,17H,5-7H2,(H,14,18,19).
What are the key properties of 6-[(4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione?
6-[(4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione has a molecular weight of 265.24 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 82554376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).