[6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C12H16F3N3S — CID 102721404

IUPAC[6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(C(F)(F)F)cc(SC2CCCCC2)n1
InChIInChI=1S/C12H16F3N3S/c13-12(14,15)8-6-10(18-16)17-11(7-8)19-9-4-2-1-3-5-9/h6-7,9H,1-5,16H2,(H,17,18)
InChIKeyDBPFJZQEDPWUMH-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.81
Rot. Bonds3

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

[6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102721404) has the molecular formula C12H16F3N3S and a molecular weight of 291.34 g/mol. Its IUPAC name is [6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102721404
Molecular FormulaC12H16F3N3S
Molecular Weight291.34 g/mol
Exact Mass291.10
IUPAC Name[6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(C(F)(F)F)cc(SC2CCCCC2)n1
InChIInChI=1S/C12H16F3N3S/c13-12(14,15)8-6-10(18-16)17-11(7-8)19-9-4-2-1-3-5-9/h6-7,9H,1-5,16H2,(H,17,18)
InChIKeyDBPFJZQEDPWUMH-UHFFFAOYSA-N
XLogP3.81
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.81
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

6-cyclohexylsulfanyl-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720274
6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720339
2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine
CID 102716318
(2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine
CID 80979775
(6-cyclohexylsulfanylpyridazin-3-yl)hydrazine
CID 53353135
N-(2-ethylcyclohexyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720558
[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721368
[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102721155
[6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 106928799
[6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721373
[6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721378
2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 114563044

Frequently Asked Questions

What is the IUPAC name of [6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102721404) is [6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine is NNc1cc(C(F)(F)F)cc(SC2CCCCC2)n1.
What is the InChIKey of [6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is DBPFJZQEDPWUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3S/c13-12(14,15)8-6-10(18-16)17-11(7-8)19-9-4-2-1-3-5-9/h6-7,9H,1-5,16H2,(H,17,18).
What are the key properties of [6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 291.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102721404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).