3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H16F3N5S — CID 133489106

IUPAC3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)C1CCCC(Nc2ccc3nnc(-c4ccsc4)n3n2)C1
InChIInChI=1S/C16H16F3N5S/c17-16(18,19)11-2-1-3-12(8-11)20-13-4-5-14-21-22-15(24(14)23-13)10-6-7-25-9-10/h4-7,9,11-12H,1-3,8H2,(H,20,23)
InChIKeyHFZYVFCEIGIASR-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.39
Rot. Bonds3

About 3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133489106) has the molecular formula C16H16F3N5S and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133489106
Molecular FormulaC16H16F3N5S
Molecular Weight367.40 g/mol
Exact Mass367.11
IUPAC Name3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)C1CCCC(Nc2ccc3nnc(-c4ccsc4)n3n2)C1
InChIInChI=1S/C16H16F3N5S/c17-16(18,19)11-2-1-3-12(8-11)20-13-4-5-14-21-22-15(24(14)23-13)10-6-7-25-9-10/h4-7,9,11-12H,1-3,8H2,(H,20,23)
InChIKeyHFZYVFCEIGIASR-UHFFFAOYSA-N
XLogP4.39
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133333824
N-cyclobutyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10359460
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488984
6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide
CID 133333827
N-pentan-3-yl-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488071
3-thiophen-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488409
N-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 133490027
N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488143
N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 134811095
N-(1-morpholin-4-ylpropan-2-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489798
N-(2-morpholin-4-ylpropyl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489519
N-[[4-(methoxymethyl)phenyl]methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489560

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133489106) is 3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is FC(F)(F)C1CCCC(Nc2ccc3nnc(-c4ccsc4)n3n2)C1.
What is the InChIKey of 3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is HFZYVFCEIGIASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5S/c17-16(18,19)11-2-1-3-12(8-11)20-13-4-5-14-21-22-15(24(14)23-13)10-6-7-25-9-10/h4-7,9,11-12H,1-3,8H2,(H,20,23).
What are the key properties of 3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 367.40 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133489106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).