N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine

C7H8F3N3S — CID 103702662

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine
SMILESFC(F)(F)SCCNc1cccnn1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)14-5-4-11-6-2-1-3-12-13-6/h1-3H,4-5H2,(H,11,13)
InChIKeyHWUXOLGMZWNXEL-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.14
Rot. Bonds4

About N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine

N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine (PubChem CID 103702662) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine
PubChem CID103702662
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine
SMILESFC(F)(F)SCCNc1cccnn1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)14-5-4-11-6-2-1-3-12-13-6/h1-3H,4-5H2,(H,11,13)
InChIKeyHWUXOLGMZWNXEL-UHFFFAOYSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methylpyridazin-3-amine
CID 19831906
N1-(pyridazin-3-yl)ethane-1,2-diamine
CID 22118660
N-Cyclopropylpyridazin-3-amine
CID 62482225
N1-(pyridazin-3-yl)ethane-1,2-diamine dihydrochloride
CID 121209039
N-ethylpyridazin-3-amine
CID 12446652
3-Butylaminopyridazine
CID 62483243
N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine
CID 167420830
(4S)-4-fluoro-1-pyridazin-3-ylpyrrolidine-3-thiol
CID 177337850
N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 62481008
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 62481416
N-(3,3,3-trifluoropropyl)pyridazin-3-amine
CID 63226885
N-(4,4,4-trifluorobutyl)pyridazin-3-amine
CID 79040501

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine (CID 103702662) is N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine is FC(F)(F)SCCNc1cccnn1.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine?
The InChIKey is HWUXOLGMZWNXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c8-7(9,10)14-5-4-11-6-2-1-3-12-13-6/h1-3H,4-5H2,(H,11,13).
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine?
N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine has a molecular weight of 223.22 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 103702662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).