N-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H22FN5S — CID 133428073

IUPACN-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCSC1CCC(N(C)c2ccc3nnc(-c4ccccc4F)n3n2)C1
InChIInChI=1S/C19H22FN5S/c1-3-26-14-9-8-13(12-14)24(2)18-11-10-17-21-22-19(25(17)23-18)15-6-4-5-7-16(15)20/h4-7,10-11,13-14H,3,8-9,12H2,1-2H3
InChIKeyADOQJUVACLXELS-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.04
Rot. Bonds5

About N-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133428073) has the molecular formula C19H22FN5S and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133428073
Molecular FormulaC19H22FN5S
Molecular Weight371.49 g/mol
Exact Mass371.16
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCSC1CCC(N(C)c2ccc3nnc(-c4ccccc4F)n3n2)C1
InChIInChI=1S/C19H22FN5S/c1-3-26-14-9-8-13(12-14)24(2)18-11-10-17-21-22-19(25(17)23-18)15-6-4-5-7-16(15)20/h4-7,10-11,13-14H,3,8-9,12H2,1-2H3
InChIKeyADOQJUVACLXELS-UHFFFAOYSA-N
XLogP4.04
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine
CID 99802743
6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43144392
3-(2-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 47072263
(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434777
3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133333824
6-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133426988
[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl] pyrrolidine-1-carbodithioate
CID 133424878
3-(2-fluorophenyl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133426237
4-[[4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 49429611
2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile
CID 133497739
ethyl 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]butanoate
CID 86701046
methyl 1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate
CID 47072276

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133428073) is N-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCSC1CCC(N(C)c2ccc3nnc(-c4ccccc4F)n3n2)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ADOQJUVACLXELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5S/c1-3-26-14-9-8-13(12-14)24(2)18-11-10-17-21-22-19(25(17)23-18)15-6-4-5-7-16(15)20/h4-7,10-11,13-14H,3,8-9,12H2,1-2H3.
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 371.49 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-3-(2-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133428073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).