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

C8H10F3N3S — CID 106431167

IUPAC5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine
SMILESCc1cnnc(NCCSC(F)(F)F)c1
InChIInChI=1S/C8H10F3N3S/c1-6-4-7(14-13-5-6)12-2-3-15-8(9,10)11/h4-5H,2-3H2,1H3,(H,12,14)
InChIKeyGATCLCUTZDXNOT-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.45
Rot. Bonds4

About 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine

5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine (PubChem CID 106431167) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine
PubChem CID106431167
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine
SMILESCc1cnnc(NCCSC(F)(F)F)c1
InChIInChI=1S/C8H10F3N3S/c1-6-4-7(14-13-5-6)12-2-3-15-8(9,10)11/h4-5H,2-3H2,1H3,(H,12,14)
InChIKeyGATCLCUTZDXNOT-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.45
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-ethylpyridazin-3-amine
CID 12446652
3-Butylaminopyridazine
CID 62483243
N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine
CID 126818890
3-Piperazin-1-yl-5-trifluoromethyl-pyridazine
CID 69039149
N-Methyl-5-(trifluoromethyl)pyridazin-3-amine
CID 133063415
(Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide
CID 153337957
(1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine
CID 153337981
N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine
CID 167420830
N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine
CID 176897238
4-(aminomethyl)-N-ethylpyridazin-3-amine
CID 46848808
4-(aminomethyl)-N-propylpyridazin-3-amine
CID 46848810
4-(aminomethyl)-N-butylpyridazin-3-amine
CID 46848812

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine?
The IUPAC name of 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine (CID 106431167) is 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine?
The canonical SMILES for 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine is Cc1cnnc(NCCSC(F)(F)F)c1.
What is the InChIKey of 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine?
The InChIKey is GATCLCUTZDXNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c1-6-4-7(14-13-5-6)12-2-3-15-8(9,10)11/h4-5H,2-3H2,1H3,(H,12,14).
What are the key properties of 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine?
5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine has a molecular weight of 237.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 106431167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).