methyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate

C11H13F3N4O2 — CID 156749548

IUPACmethyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2cnc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H13F3N4O2/c1-20-10(19)18-4-2-17(3-5-18)9-7-15-8(6-16-9)11(12,13)14/h6-7H,2-5H2,1H3
InChIKeyGVRYSBDJRJQLDQ-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.38
Rot. Bonds1

About methyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate

methyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate (PubChem CID 156749548) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is methyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate
PubChem CID156749548
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Namemethyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2cnc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H13F3N4O2/c1-20-10(19)18-4-2-17(3-5-18)9-7-15-8(6-16-9)11(12,13)14/h6-7H,2-5H2,1H3
InChIKeyGVRYSBDJRJQLDQ-UHFFFAOYSA-N
XLogP1.38
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate (CID 156749548) is methyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate is COC(=O)N1CCN(c2cnc(C(F)(F)F)cn2)CC1.
What is the InChIKey of methyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate?
The InChIKey is GVRYSBDJRJQLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-20-10(19)18-4-2-17(3-5-18)9-7-15-8(6-16-9)11(12,13)14/h6-7H,2-5H2,1H3.
What are the key properties of methyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate?
methyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate has a molecular weight of 290.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 156749548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).