2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine

C15H16F3N5O — CID 75420698

IUPAC2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine
SMILESCOc1nccnc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H16F3N5O/c1-24-14-13(19-4-5-20-14)23-8-6-22(7-9-23)12-3-2-11(10-21-12)15(16,17)18/h2-5,10H,6-9H2,1H3
InChIKeyNAGYNFTYBXGPRY-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.23
Rot. Bonds3

About 2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine

2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine (PubChem CID 75420698) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine
PubChem CID75420698
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine
SMILESCOc1nccnc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H16F3N5O/c1-24-14-13(19-4-5-20-14)23-8-6-22(7-9-23)12-3-2-11(10-21-12)15(16,17)18/h2-5,10H,6-9H2,1H3
InChIKeyNAGYNFTYBXGPRY-UHFFFAOYSA-N
XLogP2.23
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine (CID 75420698) is 2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine is COc1nccnc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine?
The InChIKey is NAGYNFTYBXGPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-24-14-13(19-4-5-20-14)23-8-6-22(7-9-23)12-3-2-11(10-21-12)15(16,17)18/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine?
2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine has a molecular weight of 339.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 75420698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).