5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine

C16H22F3N7 — CID 167768308

IUPAC5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESFC(F)(F)C1CCC(CN2CCN(c3cncc4nnnn34)CC2)CC1
InChIInChI=1S/C16H22F3N7/c17-16(18,19)13-3-1-12(2-4-13)11-24-5-7-25(8-6-24)15-10-20-9-14-21-22-23-26(14)15/h9-10,12-13H,1-8,11H2
InChIKeyLOZIRBARABKQLX-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.01
Rot. Bonds3

About 5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine

5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine (PubChem CID 167768308) has the molecular formula C16H22F3N7 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine
PubChem CID167768308
Molecular FormulaC16H22F3N7
Molecular Weight369.40 g/mol
Exact Mass369.19
IUPAC Name5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESFC(F)(F)C1CCC(CN2CCN(c3cncc4nnnn34)CC2)CC1
InChIInChI=1S/C16H22F3N7/c17-16(18,19)13-3-1-12(2-4-13)11-24-5-7-25(8-6-24)15-10-20-9-14-21-22-23-26(14)15/h9-10,12-13H,1-8,11H2
InChIKeyLOZIRBARABKQLX-UHFFFAOYSA-N
XLogP2.01
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine?
The IUPAC name of 5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine (CID 167768308) is 5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine is FC(F)(F)C1CCC(CN2CCN(c3cncc4nnnn34)CC2)CC1.
What is the InChIKey of 5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine?
The InChIKey is LOZIRBARABKQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N7/c17-16(18,19)13-3-1-12(2-4-13)11-24-5-7-25(8-6-24)15-10-20-9-14-21-22-23-26(14)15/h9-10,12-13H,1-8,11H2.
What are the key properties of 5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine?
5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine has a molecular weight of 369.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 167768308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).