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

C11H15F3N4S — CID 106776577

IUPAC[6-cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(SC2CCCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4S/c12-11(13,14)10-16-8(18-15)6-9(17-10)19-7-4-2-1-3-5-7/h6-7H,1-5,15H2,(H,16,17,18)
InChIKeyZVQJFLTZGZYRKA-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.21
Rot. Bonds3

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

[6-cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776577) has the molecular formula C11H15F3N4S and a molecular weight of 292.33 g/mol. Its IUPAC name is [6-cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776577
Molecular FormulaC11H15F3N4S
Molecular Weight292.33 g/mol
Exact Mass292.10
IUPAC Name[6-cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(SC2CCCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4S/c12-11(13,14)10-16-8(18-15)6-9(17-10)19-7-4-2-1-3-5-7/h6-7H,1-5,15H2,(H,16,17,18)
InChIKeyZVQJFLTZGZYRKA-UHFFFAOYSA-N
XLogP3.21
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.21
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-cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776577) is [6-cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is NNc1cc(SC2CCCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of [6-cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is ZVQJFLTZGZYRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4S/c12-11(13,14)10-16-8(18-15)6-9(17-10)19-7-4-2-1-3-5-7/h6-7H,1-5,15H2,(H,16,17,18).
What are the key properties of [6-cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 292.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).