3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C13H13FN4O — CID 74824472

IUPAC3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCC1=NNC2C(=O)N(c3cccc(F)c3)C=CN12
InChIInChI=1S/C13H13FN4O/c1-2-11-15-16-12-13(19)17(6-7-18(11)12)10-5-3-4-9(14)8-10/h3-8,12,16H,2H2,1H3
InChIKeyOKHIAYIXZUVVCY-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.60
Rot. Bonds2

About 3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 74824472) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID74824472
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCC1=NNC2C(=O)N(c3cccc(F)c3)C=CN12
InChIInChI=1S/C13H13FN4O/c1-2-11-15-16-12-13(19)17(6-7-18(11)12)10-5-3-4-9(14)8-10/h3-8,12,16H,2H2,1H3
InChIKeyOKHIAYIXZUVVCY-UHFFFAOYSA-N
XLogP1.60
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methylsulfanyl]-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 75551837
7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 167996799
N-(3-fluorophenyl)-2-[[7-(3-methoxyphenyl)-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]acetamide
CID 75552183
4-(3-fluorophenyl)-3-tritriacontyl-1,5-dihydro-1,2,4-triazole-5-carbothialdehyde
CID 174490917
2-[7-(4-bromo-3-methylphenyl)-3,8-dioxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-fluorophenyl)acetamide
CID 73338696
5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione
CID 65221909
5-ethyl-2-(3-fluorophenyl)pyrazolidin-3-one
CID 105461642
1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955932
4-ethyl-3-(3-fluorophenyl)-1H-imidazole-2-thione
CID 81338745
3-(3-fluorophenyl)-4-methyl-1H-imidazol-2-one
CID 81446269
1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24715881
2-(3-fluorophenyl)-1H-pyrazol-5-one
CID 54178318

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 74824472) is 3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CCC1=NNC2C(=O)N(c3cccc(F)c3)C=CN12.
What is the InChIKey of 3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is OKHIAYIXZUVVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-2-11-15-16-12-13(19)17(6-7-18(11)12)10-5-3-4-9(14)8-10/h3-8,12,16H,2H2,1H3.
What are the key properties of 3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 260.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 74824472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).