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

C17H16FN5O2 — CID 91891470

IUPAC6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1nnn2cc(-c3ccc(F)cc3)[nH]c(=O)c12)N1CCCCC1
InChIInChI=1S/C17H16FN5O2/c18-12-6-4-11(5-7-12)13-10-23-15(16(24)19-13)14(20-21-23)17(25)22-8-2-1-3-9-22/h4-7,10H,1-3,8-9H2,(H,19,24)
InChIKeySUJCKILMJRZDPN-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.85
Rot. Bonds2

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

6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one (PubChem CID 91891470) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one
PubChem CID91891470
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1nnn2cc(-c3ccc(F)cc3)[nH]c(=O)c12)N1CCCCC1
InChIInChI=1S/C17H16FN5O2/c18-12-6-4-11(5-7-12)13-10-23-15(16(24)19-13)14(20-21-23)17(25)22-8-2-1-3-9-22/h4-7,10H,1-3,8-9H2,(H,19,24)
InChIKeySUJCKILMJRZDPN-UHFFFAOYSA-N
XLogP1.85
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one (CID 91891470) is 6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one is O=C(c1nnn2cc(-c3ccc(F)cc3)[nH]c(=O)c12)N1CCCCC1.
What is the InChIKey of 6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one?
The InChIKey is SUJCKILMJRZDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-12-6-4-11(5-7-12)13-10-23-15(16(24)19-13)14(20-21-23)17(25)22-8-2-1-3-9-22/h4-7,10H,1-3,8-9H2,(H,19,24).
What are the key properties of 6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one?
6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one has a molecular weight of 341.35 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(piperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91891470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).