1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine

C15H14F6N4O2 — CID 156533253

IUPAC1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine
SMILESCOCc1nc(NNCC(F)(F)F)cnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F6N4O2/c1-26-7-11-13(9-2-4-10(5-3-9)27-15(19,20)21)22-6-12(24-11)25-23-8-14(16,17)18/h2-6,23H,7-8H2,1H3,(H,24,25)
InChIKeyRDRFVHUMIIAWRN-UHFFFAOYSA-N
MW396.29 g/mol
LogP3.67
Rot. Bonds7

About 1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine

1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine (PubChem CID 156533253) has the molecular formula C15H14F6N4O2 and a molecular weight of 396.29 g/mol. Its IUPAC name is 1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine.

Molecular Properties

Compound Name1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine
PubChem CID156533253
Molecular FormulaC15H14F6N4O2
Molecular Weight396.29 g/mol
Exact Mass396.10
IUPAC Name1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine
SMILESCOCc1nc(NNCC(F)(F)F)cnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F6N4O2/c1-26-7-11-13(9-2-4-10(5-3-9)27-15(19,20)21)22-6-12(24-11)25-23-8-14(16,17)18/h2-6,23H,7-8H2,1H3,(H,24,25)
InChIKeyRDRFVHUMIIAWRN-UHFFFAOYSA-N
XLogP3.67
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine?
The IUPAC name of 1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine (CID 156533253) is 1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine.
What is the SMILES notation for 1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine?
The canonical SMILES for 1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine is COCc1nc(NNCC(F)(F)F)cnc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine?
The InChIKey is RDRFVHUMIIAWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N4O2/c1-26-7-11-13(9-2-4-10(5-3-9)27-15(19,20)21)22-6-12(24-11)25-23-8-14(16,17)18/h2-6,23H,7-8H2,1H3,(H,24,25).
What are the key properties of 1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine?
1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine has a molecular weight of 396.29 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine is sourced from PubChem (CID 156533253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).