4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one

C12H18ClN3OS — CID 103704876

IUPAC4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one
SMILESCCSC1CCC(Nc2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C12H18ClN3OS/c1-3-18-9-5-4-8(6-9)15-10-7-14-16(2)12(17)11(10)13/h7-9,15H,3-6H2,1-2H3
InChIKeySVKNUDIMXODTKS-UHFFFAOYSA-N
MW287.82 g/mol
LogP2.52
Rot. Bonds4

About 4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one

4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one (PubChem CID 103704876) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one
PubChem CID103704876
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one
SMILESCCSC1CCC(Nc2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C12H18ClN3OS/c1-3-18-9-5-4-8(6-9)15-10-7-14-16(2)12(17)11(10)13/h7-9,15H,3-6H2,1-2H3
InChIKeySVKNUDIMXODTKS-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one (CID 103704876) is 4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one is CCSC1CCC(Nc2cnn(C)c(=O)c2Cl)C1.
What is the InChIKey of 4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one?
The InChIKey is SVKNUDIMXODTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-3-18-9-5-4-8(6-9)15-10-7-14-16(2)12(17)11(10)13/h7-9,15H,3-6H2,1-2H3.
What are the key properties of 4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one?
4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one has a molecular weight of 287.82 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 103704876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).