4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one

C13H16ClN3OS — CID 114437766

IUPAC4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one
SMILESCCn1ncc(NC(C)Cc2cccs2)c(Cl)c1=O
InChIInChI=1S/C13H16ClN3OS/c1-3-17-13(18)12(14)11(8-15-17)16-9(2)7-10-5-4-6-19-10/h4-6,8-9,16H,3,7H2,1-2H3
InChIKeyCSZUOWQYXFVONI-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.02
Rot. Bonds5

About 4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one

4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one (PubChem CID 114437766) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one
PubChem CID114437766
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one
SMILESCCn1ncc(NC(C)Cc2cccs2)c(Cl)c1=O
InChIInChI=1S/C13H16ClN3OS/c1-3-17-13(18)12(14)11(8-15-17)16-9(2)7-10-5-4-6-19-10/h4-6,8-9,16H,3,7H2,1-2H3
InChIKeyCSZUOWQYXFVONI-UHFFFAOYSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one (CID 114437766) is 4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one is CCn1ncc(NC(C)Cc2cccs2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one?
The InChIKey is CSZUOWQYXFVONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-3-17-13(18)12(14)11(8-15-17)16-9(2)7-10-5-4-6-19-10/h4-6,8-9,16H,3,7H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one?
4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one has a molecular weight of 297.81 g/mol, XLogP of 3.02, 5 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-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114437766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).