6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine

C13H20ClN3S — CID 114121957

IUPAC6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine
SMILESCCSC1CCCC1Nc1nnc(Cl)c(C)c1C
InChIInChI=1S/C13H20ClN3S/c1-4-18-11-7-5-6-10(11)15-13-9(3)8(2)12(14)16-17-13/h10-11H,4-7H2,1-3H3,(H,15,17)
InChIKeyGTMAOOZMDGEATJ-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.83
Rot. Bonds4

About 6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine

6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine (PubChem CID 114121957) has the molecular formula C13H20ClN3S and a molecular weight of 285.84 g/mol. Its IUPAC name is 6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine
PubChem CID114121957
Molecular FormulaC13H20ClN3S
Molecular Weight285.84 g/mol
Exact Mass285.11
IUPAC Name6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine
SMILESCCSC1CCCC1Nc1nnc(Cl)c(C)c1C
InChIInChI=1S/C13H20ClN3S/c1-4-18-11-7-5-6-10(11)15-13-9(3)8(2)12(14)16-17-13/h10-11H,4-7H2,1-3H3,(H,15,17)
InChIKeyGTMAOOZMDGEATJ-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine (CID 114121957) is 6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine is CCSC1CCCC1Nc1nnc(Cl)c(C)c1C.
What is the InChIKey of 6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine?
The InChIKey is GTMAOOZMDGEATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3S/c1-4-18-11-7-5-6-10(11)15-13-9(3)8(2)12(14)16-17-13/h10-11H,4-7H2,1-3H3,(H,15,17).
What are the key properties of 6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine?
6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine has a molecular weight of 285.84 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 114121957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).