2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine

C16H17FN8 — CID 17491060

IUPAC2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine
SMILESFc1ccc(-c2nnn(CN3CCN(c4cnccn4)CC3)n2)cc1
InChIInChI=1S/C16H17FN8/c17-14-3-1-13(2-4-14)16-20-22-25(21-16)12-23-7-9-24(10-8-23)15-11-18-5-6-19-15/h1-6,11H,7-10,12H2
InChIKeyCVHSZJMJNHMMNA-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.05
Rot. Bonds4

About 2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine

2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine (PubChem CID 17491060) has the molecular formula C16H17FN8 and a molecular weight of 340.37 g/mol. Its IUPAC name is 2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine
PubChem CID17491060
Molecular FormulaC16H17FN8
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine
SMILESFc1ccc(-c2nnn(CN3CCN(c4cnccn4)CC3)n2)cc1
InChIInChI=1S/C16H17FN8/c17-14-3-1-13(2-4-14)16-20-22-25(21-16)12-23-7-9-24(10-8-23)15-11-18-5-6-19-15/h1-6,11H,7-10,12H2
InChIKeyCVHSZJMJNHMMNA-UHFFFAOYSA-N
XLogP1.05
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine (CID 17491060) is 2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine is Fc1ccc(-c2nnn(CN3CCN(c4cnccn4)CC3)n2)cc1.
What is the InChIKey of 2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine?
The InChIKey is CVHSZJMJNHMMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN8/c17-14-3-1-13(2-4-14)16-20-22-25(21-16)12-23-7-9-24(10-8-23)15-11-18-5-6-19-15/h1-6,11H,7-10,12H2.
What are the key properties of 2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine?
2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine has a molecular weight of 340.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 17491060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).