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

C18H13FN4O — CID 42585567

IUPAC7-(4-fluorophenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCc1cccc(-c2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)c1
InChIInChI=1S/C18H13FN4O/c1-12-3-2-4-13(11-12)16-20-21-17-18(24)22(9-10-23(16)17)15-7-5-14(19)6-8-15/h2-11H,1H3
InChIKeyUOGXWVZKBGDBJI-UHFFFAOYSA-N
MW320.33 g/mol
LogP2.99
Rot. Bonds2

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

7-(4-fluorophenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 42585567) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID42585567
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name7-(4-fluorophenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCc1cccc(-c2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)c1
InChIInChI=1S/C18H13FN4O/c1-12-3-2-4-13(11-12)16-20-21-17-18(24)22(9-10-23(16)17)15-7-5-14(19)6-8-15/h2-11H,1H3
InChIKeyUOGXWVZKBGDBJI-UHFFFAOYSA-N
XLogP2.99
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-(4-fluorophenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 42585567) is 7-(4-fluorophenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one is Cc1cccc(-c2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)c1.
What is the InChIKey of 7-(4-fluorophenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is UOGXWVZKBGDBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-12-3-2-4-13(11-12)16-20-21-17-18(24)22(9-10-23(16)17)15-7-5-14(19)6-8-15/h2-11H,1H3.
What are the key properties of 7-(4-fluorophenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-(4-fluorophenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 320.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 42585567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).