6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one

C16H14FN5O3 — CID 91891471

IUPAC6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1nnn2cc(-c3ccc(F)cc3)[nH]c(=O)c12)N1CCOCC1
InChIInChI=1S/C16H14FN5O3/c17-11-3-1-10(2-4-11)12-9-22-14(15(23)18-12)13(19-20-22)16(24)21-5-7-25-8-6-21/h1-4,9H,5-8H2,(H,18,23)
InChIKeyXJSLEKXOAIJAAP-UHFFFAOYSA-N
MW343.32 g/mol
LogP0.70
Rot. Bonds2

About 6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one

6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one (PubChem CID 91891471) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one
PubChem CID91891471
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC Name6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1nnn2cc(-c3ccc(F)cc3)[nH]c(=O)c12)N1CCOCC1
InChIInChI=1S/C16H14FN5O3/c17-11-3-1-10(2-4-11)12-9-22-14(15(23)18-12)13(19-20-22)16(24)21-5-7-25-8-6-21/h1-4,9H,5-8H2,(H,18,23)
InChIKeyXJSLEKXOAIJAAP-UHFFFAOYSA-N
XLogP0.70
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one (CID 91891471) is 6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one is O=C(c1nnn2cc(-c3ccc(F)cc3)[nH]c(=O)c12)N1CCOCC1.
What is the InChIKey of 6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one?
The InChIKey is XJSLEKXOAIJAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3/c17-11-3-1-10(2-4-11)12-9-22-14(15(23)18-12)13(19-20-22)16(24)21-5-7-25-8-6-21/h1-4,9H,5-8H2,(H,18,23).
What are the key properties of 6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one?
6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one has a molecular weight of 343.32 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(morpholine-4-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91891471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).