[pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine

C11H9F3N4 — CID 105220882

IUPAC[pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1ccncn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H9F3N4/c12-7-2-1-6(9(13)10(7)14)11(18-15)8-3-4-16-5-17-8/h1-5,11,18H,15H2
InChIKeyVUOMDLJBTYVHRZ-UHFFFAOYSA-N
MW254.22 g/mol
LogP1.45
Rot. Bonds3

About [pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine

[pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine (PubChem CID 105220882) has the molecular formula C11H9F3N4 and a molecular weight of 254.22 g/mol. Its IUPAC name is [pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
PubChem CID105220882
Molecular FormulaC11H9F3N4
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name[pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1ccncn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H9F3N4/c12-7-2-1-6(9(13)10(7)14)11(18-15)8-3-4-16-5-17-8/h1-5,11,18H,15H2
InChIKeyVUOMDLJBTYVHRZ-UHFFFAOYSA-N
XLogP1.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine
CID 105221029
[(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine
CID 105220915
[pyrimidin-4-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105220929
[(2,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105216507
[(2,3,4-trifluorophenyl)-(2,4,6-trifluorophenyl)methyl]hydrazine
CID 105305720
[pyrimidin-4-yl(thiophen-3-yl)methyl]hydrazine
CID 105220900
[(2-methylpyrazol-3-yl)-pyrimidin-4-ylmethyl]hydrazine
CID 105220886
[(2,3-difluorophenyl)-pyridin-4-ylmethyl]hydrazine
CID 105196453
[(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105280809
[(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine
CID 105221184
[(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 107948222
[thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105196682

Frequently Asked Questions

What is the IUPAC name of [pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine (CID 105220882) is [pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine is NNC(c1ccncn1)c1ccc(F)c(F)c1F.
What is the InChIKey of [pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
The InChIKey is VUOMDLJBTYVHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4/c12-7-2-1-6(9(13)10(7)14)11(18-15)8-3-4-16-5-17-8/h1-5,11,18H,15H2.
What are the key properties of [pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
[pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine has a molecular weight of 254.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105220882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).