2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine

C18H19F3N8O — CID 86959692

IUPAC2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine
SMILESCOc1cncc(N2CCN(Cc3nnnn3-c3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C18H19F3N8O/c1-30-17-11-22-10-15(23-17)28-8-6-27(7-9-28)12-16-24-25-26-29(16)14-4-2-13(3-5-14)18(19,20)21/h2-5,10-11H,6-9,12H2,1H3
InChIKeyIJUPMZGUDBNHDG-UHFFFAOYSA-N
MW420.40 g/mol
LogP1.80
Rot. Bonds5

About 2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine

2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine (PubChem CID 86959692) has the molecular formula C18H19F3N8O and a molecular weight of 420.40 g/mol. Its IUPAC name is 2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine
PubChem CID86959692
Molecular FormulaC18H19F3N8O
Molecular Weight420.40 g/mol
Exact Mass420.16
IUPAC Name2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine
SMILESCOc1cncc(N2CCN(Cc3nnnn3-c3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C18H19F3N8O/c1-30-17-11-22-10-15(23-17)28-8-6-27(7-9-28)12-16-24-25-26-29(16)14-4-2-13(3-5-14)18(19,20)21/h2-5,10-11H,6-9,12H2,1H3
InChIKeyIJUPMZGUDBNHDG-UHFFFAOYSA-N
XLogP1.80
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-ethyl-4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-2-one
CID 123925176
cyclopropyl-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55856055
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]tetrazole
CID 56599941
1-benzylsulfonyl-4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
CID 52688067
1-(5-chlorothiophen-2-yl)sulfonyl-4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
CID 60523483
3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine
CID 120776522
1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903894
2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine
CID 86959684
4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 29340329
(3R)-3-methylsulfanyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]azepane
CID 97001223
N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 55856960
N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine
CID 87021490

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine (CID 86959692) is 2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine is COc1cncc(N2CCN(Cc3nnnn3-c3ccc(C(F)(F)F)cc3)CC2)n1.
What is the InChIKey of 2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine?
The InChIKey is IJUPMZGUDBNHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N8O/c1-30-17-11-22-10-15(23-17)28-8-6-27(7-9-28)12-16-24-25-26-29(16)14-4-2-13(3-5-14)18(19,20)21/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine?
2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine has a molecular weight of 420.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 86959692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).