4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one

C11H16ClN3OS — CID 114443011

IUPAC4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one
SMILESCCn1ncc(NC2CCSCC2)c(Cl)c1=O
InChIInChI=1S/C11H16ClN3OS/c1-2-15-11(16)10(12)9(7-13-15)14-8-3-5-17-6-4-8/h7-8,14H,2-6H2,1H3
InChIKeyPIFALBVSSQNJLD-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.22
Rot. Bonds3

About 4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one

4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one (PubChem CID 114443011) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one
PubChem CID114443011
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one
SMILESCCn1ncc(NC2CCSCC2)c(Cl)c1=O
InChIInChI=1S/C11H16ClN3OS/c1-2-15-11(16)10(12)9(7-13-15)14-8-3-5-17-6-4-8/h7-8,14H,2-6H2,1H3
InChIKeyPIFALBVSSQNJLD-UHFFFAOYSA-N
XLogP2.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-4-chloro-5-(thian-4-ylamino)pyridazin-3-one
CID 114443013
4-chloro-2-ethyl-5-[(4-ethylcyclohexyl)amino]pyridazin-3-one
CID 114435432
4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one
CID 114434740
4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one
CID 114440472
4-chloro-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191860
4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one
CID 121476463
4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one
CID 114436972
4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one
CID 114439119
4-chloro-5-(thiolan-3-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 103063561
5-[(2-aminocycloheptyl)amino]-4-chloro-2-ethylpyridazin-3-one
CID 114444887
4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one
CID 103704352
4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one
CID 114437060

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one (CID 114443011) is 4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one is CCn1ncc(NC2CCSCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one?
The InChIKey is PIFALBVSSQNJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-2-15-11(16)10(12)9(7-13-15)14-8-3-5-17-6-4-8/h7-8,14H,2-6H2,1H3.
What are the key properties of 4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one?
4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one has a molecular weight of 273.79 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one is sourced from PubChem (CID 114443011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).