[2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine

C9H12F3N3S — CID 102710309

IUPAC[2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine
SMILESCSCC(NN)c1cnccc1C(F)(F)F
InChIInChI=1S/C9H12F3N3S/c1-16-5-8(15-13)6-4-14-3-2-7(6)9(10,11)12/h2-4,8,15H,5,13H2,1H3
InChIKeyNOTBEKFUYNNDCE-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.97
Rot. Bonds4

About [2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine

[2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine (PubChem CID 102710309) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is [2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine.

Molecular Properties

Compound Name[2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine
PubChem CID102710309
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name[2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine
SMILESCSCC(NN)c1cnccc1C(F)(F)F
InChIInChI=1S/C9H12F3N3S/c1-16-5-8(15-13)6-4-14-3-2-7(6)9(10,11)12/h2-4,8,15H,5,13H2,1H3
InChIKeyNOTBEKFUYNNDCE-UHFFFAOYSA-N
XLogP1.97
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propyl]hydrazine
CID 102710527
1-[4-(trifluoromethyl)-3-pyridinyl]nonylhydrazine
CID 102710491
[4-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine
CID 102710333
N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 114222081
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708230
N-[2-propylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708209
(1-isoquinolin-5-yl-2-methylsulfanylethyl)hydrazine
CID 105213991
[(4-ethylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710567
[2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propyl]hydrazine
CID 102710327
[2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]hexyl]hydrazine
CID 114247323
N,3,4,4-tetramethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine
CID 102710096

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine?
The IUPAC name of [2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine (CID 102710309) is [2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine.
What is the SMILES notation for [2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine?
The canonical SMILES for [2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine is CSCC(NN)c1cnccc1C(F)(F)F.
What is the InChIKey of [2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine?
The InChIKey is NOTBEKFUYNNDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c1-16-5-8(15-13)6-4-14-3-2-7(6)9(10,11)12/h2-4,8,15H,5,13H2,1H3.
What are the key properties of [2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine?
[2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine has a molecular weight of 251.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine is sourced from PubChem (CID 102710309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).