2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C18H16FN5O2 — CID 134795178

IUPAC2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CCn2c(nn(-c3ccc(F)cc3)c2=O)C1
InChIInChI=1S/C18H16FN5O2/c19-13-6-8-15(9-7-13)24-18(26)23-11-10-22(12-16(23)21-24)17(25)20-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,20,25)
InChIKeyDUFWQAPSLPYXQN-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.22
Rot. Bonds2

About 2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 134795178) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID134795178
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CCn2c(nn(-c3ccc(F)cc3)c2=O)C1
InChIInChI=1S/C18H16FN5O2/c19-13-6-8-15(9-7-13)24-18(26)23-11-10-22(12-16(23)21-24)17(25)20-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,20,25)
InChIKeyDUFWQAPSLPYXQN-UHFFFAOYSA-N
XLogP2.22
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 134795178) is 2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is O=C(Nc1ccccc1)N1CCn2c(nn(-c3ccc(F)cc3)c2=O)C1.
What is the InChIKey of 2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is DUFWQAPSLPYXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c19-13-6-8-15(9-7-13)24-18(26)23-11-10-22(12-16(23)21-24)17(25)20-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,20,25).
What are the key properties of 2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 134795178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).