1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one

C9H8FN3O — CID 67898277

IUPAC1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one
SMILESO=C1NC=CN(c2cccc(F)c2)N1
InChIInChI=1S/C9H8FN3O/c10-7-2-1-3-8(6-7)13-5-4-11-9(14)12-13/h1-6H,(H2,11,12,14)
InChIKeyYCYRUQFSJFKYND-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.33
Rot. Bonds1

About 1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one

1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one (PubChem CID 67898277) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one
PubChem CID67898277
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one
SMILESO=C1NC=CN(c2cccc(F)c2)N1
InChIInChI=1S/C9H8FN3O/c10-7-2-1-3-8(6-7)13-5-4-11-9(14)12-13/h1-6H,(H2,11,12,14)
InChIKeyYCYRUQFSJFKYND-UHFFFAOYSA-N
XLogP1.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one?
The IUPAC name of 1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one (CID 67898277) is 1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one.
What is the SMILES notation for 1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one?
The canonical SMILES for 1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one is O=C1NC=CN(c2cccc(F)c2)N1.
What is the InChIKey of 1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one?
The InChIKey is YCYRUQFSJFKYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-7-2-1-3-8(6-7)13-5-4-11-9(14)12-13/h1-6H,(H2,11,12,14).
What are the key properties of 1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one?
1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one has a molecular weight of 193.18 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one is sourced from PubChem (CID 67898277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).