[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine

C11H7F5N4 — CID 105308675

IUPAC[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine
SMILESNNC(c1cnccn1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H7F5N4/c12-6-5(7(13)9(15)10(16)8(6)14)11(20-17)4-3-18-1-2-19-4/h1-3,11,20H,17H2
InChIKeyXWIRVZXDYMUNBC-UHFFFAOYSA-N
MW290.19 g/mol
LogP1.72
Rot. Bonds3

About [(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine

[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine (PubChem CID 105308675) has the molecular formula C11H7F5N4 and a molecular weight of 290.19 g/mol. Its IUPAC name is [(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine
PubChem CID105308675
Molecular FormulaC11H7F5N4
Molecular Weight290.19 g/mol
Exact Mass290.06
IUPAC Name[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine
SMILESNNC(c1cnccn1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H7F5N4/c12-6-5(7(13)9(15)10(16)8(6)14)11(20-17)4-3-18-1-2-19-4/h1-3,11,20H,17H2
InChIKeyXWIRVZXDYMUNBC-UHFFFAOYSA-N
XLogP1.72
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 106945260
N-[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860519
[(3-bromo-5-fluorophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105238763
[[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 105250401
[(4-iodophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308758
[(4-methyl-3-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
CID 105320555
[[3-fluoro-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 107292256
[(4-methoxyphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105190970
N-methyl-1,1-di(pyrazin-2-yl)methanamine
CID 63968599
[(3-iodophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308608
[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308636
[(4-ethylthiadiazol-5-yl)-pyrazin-2-ylmethyl]hydrazine
CID 105308737

Frequently Asked Questions

What is the IUPAC name of [(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine?
The IUPAC name of [(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine (CID 105308675) is [(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine.
What is the SMILES notation for [(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine?
The canonical SMILES for [(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine is NNC(c1cnccn1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine?
The InChIKey is XWIRVZXDYMUNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N4/c12-6-5(7(13)9(15)10(16)8(6)14)11(20-17)4-3-18-1-2-19-4/h1-3,11,20H,17H2.
What are the key properties of [(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine?
[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine has a molecular weight of 290.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine is sourced from PubChem (CID 105308675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).