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

C16H16F2N6 — CID 166605310

IUPAC8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(CN2CCN(c3nccn4cnnc34)CC2)cc1F
InChIInChI=1S/C16H16F2N6/c17-13-2-1-12(9-14(13)18)10-22-5-7-23(8-6-22)15-16-21-20-11-24(16)4-3-19-15/h1-4,9,11H,5-8,10H2
InChIKeyCTCKIOWVVGMWFT-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.72
Rot. Bonds3

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

8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 166605310) has the molecular formula C16H16F2N6 and a molecular weight of 330.34 g/mol. Its IUPAC name is 8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID166605310
Molecular FormulaC16H16F2N6
Molecular Weight330.34 g/mol
Exact Mass330.14
IUPAC Name8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(CN2CCN(c3nccn4cnnc34)CC2)cc1F
InChIInChI=1S/C16H16F2N6/c17-13-2-1-12(9-14(13)18)10-22-5-7-23(8-6-22)15-16-21-20-11-24(16)4-3-19-15/h1-4,9,11H,5-8,10H2
InChIKeyCTCKIOWVVGMWFT-UHFFFAOYSA-N
XLogP1.72
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 166605310) is 8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ccc(CN2CCN(c3nccn4cnnc34)CC2)cc1F.
What is the InChIKey of 8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CTCKIOWVVGMWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6/c17-13-2-1-12(9-14(13)18)10-22-5-7-23(8-6-22)15-16-21-20-11-24(16)4-3-19-15/h1-4,9,11H,5-8,10H2.
What are the key properties of 8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 330.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 166605310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).