2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

C20H19FN4O2 — CID 134793560

IUPAC2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)Cc2ccc(F)cc2)C3)cc1
InChIInChI=1S/C20H19FN4O2/c1-27-17-8-4-15(5-9-17)20-23-22-18-13-24(10-11-25(18)20)19(26)12-14-2-6-16(21)7-3-14/h2-9H,10-13H2,1H3
InChIKeyPCCPAECGDXBANN-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.68
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (PubChem CID 134793560) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
PubChem CID134793560
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)Cc2ccc(F)cc2)C3)cc1
InChIInChI=1S/C20H19FN4O2/c1-27-17-8-4-15(5-9-17)20-23-22-18-13-24(10-11-25(18)20)19(26)12-14-2-6-16(21)7-3-14/h2-9H,10-13H2,1H3
InChIKeyPCCPAECGDXBANN-UHFFFAOYSA-N
XLogP2.68
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (CID 134793560) is 2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is COc1ccc(-c2nnc3n2CCN(C(=O)Cc2ccc(F)cc2)C3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The InChIKey is PCCPAECGDXBANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-27-17-8-4-15(5-9-17)20-23-22-18-13-24(10-11-25(18)20)19(26)12-14-2-6-16(21)7-3-14/h2-9H,10-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone has a molecular weight of 366.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 134793560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).