8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C17H19FN6O — CID 166605383

IUPAC8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(CN2CCN(c3nccn4cnnc34)CC2)cc1F
InChIInChI=1S/C17H19FN6O/c1-25-15-3-2-13(10-14(15)18)11-22-6-8-23(9-7-22)16-17-21-20-12-24(17)5-4-19-16/h2-5,10,12H,6-9,11H2,1H3
InChIKeyCFKPIWRNHQIOJA-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.59
Rot. Bonds4

About 8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 166605383) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID166605383
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(CN2CCN(c3nccn4cnnc34)CC2)cc1F
InChIInChI=1S/C17H19FN6O/c1-25-15-3-2-13(10-14(15)18)11-22-6-8-23(9-7-22)16-17-21-20-12-24(17)5-4-19-16/h2-5,10,12H,6-9,11H2,1H3
InChIKeyCFKPIWRNHQIOJA-UHFFFAOYSA-N
XLogP1.59
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 166605383) is 8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is COc1ccc(CN2CCN(c3nccn4cnnc34)CC2)cc1F.
What is the InChIKey of 8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CFKPIWRNHQIOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-25-15-3-2-13(10-14(15)18)11-22-6-8-23(9-7-22)16-17-21-20-12-24(17)5-4-19-16/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 342.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 166605383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).