3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine

C10H13F3N4O — CID 167192805

IUPAC3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine
SMILESCOc1nc(C(F)(F)F)cnc1N1CCNCC1
InChIInChI=1S/C10H13F3N4O/c1-18-9-8(17-4-2-14-3-5-17)15-6-7(16-9)10(11,12)13/h6,14H,2-5H2,1H3
InChIKeyBUMJQTDFFPQEPP-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.91
Rot. Bonds2

About 3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine

3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine (PubChem CID 167192805) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine
PubChem CID167192805
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine
SMILESCOc1nc(C(F)(F)F)cnc1N1CCNCC1
InChIInChI=1S/C10H13F3N4O/c1-18-9-8(17-4-2-14-3-5-17)15-6-7(16-9)10(11,12)13/h6,14H,2-5H2,1H3
InChIKeyBUMJQTDFFPQEPP-UHFFFAOYSA-N
XLogP0.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine?
The IUPAC name of 3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine (CID 167192805) is 3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine is COc1nc(C(F)(F)F)cnc1N1CCNCC1.
What is the InChIKey of 3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine?
The InChIKey is BUMJQTDFFPQEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-18-9-8(17-4-2-14-3-5-17)15-6-7(16-9)10(11,12)13/h6,14H,2-5H2,1H3.
What are the key properties of 3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine?
3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine has a molecular weight of 262.23 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 167192805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).