7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

C18H14F2N4O2 — CID 167996799

IUPAC7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESO=C1C2NN(Cc3cccc(F)c3)C(=O)N2C=CN1c1cccc(F)c1
InChIInChI=1S/C18H14F2N4O2/c19-13-4-1-3-12(9-13)11-24-18(26)23-8-7-22(17(25)16(23)21-24)15-6-2-5-14(20)10-15/h1-10,16,21H,11H2
InChIKeyUEAFIPGCUYWIBR-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.55
Rot. Bonds3

About 7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (PubChem CID 167996799) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.

Molecular Properties

Compound Name7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
PubChem CID167996799
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESO=C1C2NN(Cc3cccc(F)c3)C(=O)N2C=CN1c1cccc(F)c1
InChIInChI=1S/C18H14F2N4O2/c19-13-4-1-3-12(9-13)11-24-18(26)23-8-7-22(17(25)16(23)21-24)15-6-2-5-14(20)10-15/h1-10,16,21H,11H2
InChIKeyUEAFIPGCUYWIBR-UHFFFAOYSA-N
XLogP2.55
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 74824472
3-[(4-chlorophenyl)methylsulfanyl]-7-(3-fluorophenyl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 75551837
1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one
CID 17482252
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
CID 50742706
(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane
CID 158095312
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
1-[(3-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64875476
(5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione
CID 75483628
2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 156591329
2-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 2952737
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The IUPAC name of 7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (CID 167996799) is 7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.
What is the SMILES notation for 7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The canonical SMILES for 7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is O=C1C2NN(Cc3cccc(F)c3)C(=O)N2C=CN1c1cccc(F)c1.
What is the InChIKey of 7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The InChIKey is UEAFIPGCUYWIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c19-13-4-1-3-12(9-13)11-24-18(26)23-8-7-22(17(25)16(23)21-24)15-6-2-5-14(20)10-15/h1-10,16,21H,11H2.
What are the key properties of 7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione has a molecular weight of 356.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is sourced from PubChem (CID 167996799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).