[6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C7H9F3N4S — CID 106776532

IUPAC[6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCCSc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4S/c1-2-15-5-3-4(14-11)12-6(13-5)7(8,9)10/h3H,2,11H2,1H3,(H,12,13,14)
InChIKeyNCJKWECHXLWEAG-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.89
Rot. Bonds3

About [6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776532) has the molecular formula C7H9F3N4S and a molecular weight of 238.24 g/mol. Its IUPAC name is [6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776532
Molecular FormulaC7H9F3N4S
Molecular Weight238.24 g/mol
Exact Mass238.05
IUPAC Name[6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCCSc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4S/c1-2-15-5-3-4(14-11)12-6(13-5)7(8,9)10/h3H,2,11H2,1H3,(H,12,13,14)
InChIKeyNCJKWECHXLWEAG-UHFFFAOYSA-N
XLogP1.89
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776532) is [6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CCSc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of [6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is NCJKWECHXLWEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4S/c1-2-15-5-3-4(14-11)12-6(13-5)7(8,9)10/h3H,2,11H2,1H3,(H,12,13,14).
What are the key properties of [6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 238.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).