4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one

C14H18ClN3OS — CID 114440374

IUPAC4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one
SMILESCCn1ncc(NCC(C)(C)c2cccs2)c(Cl)c1=O
InChIInChI=1S/C14H18ClN3OS/c1-4-18-13(19)12(15)10(8-17-18)16-9-14(2,3)11-6-5-7-20-11/h5-8,16H,4,9H2,1-3H3
InChIKeyIKHKUPQZIWSHDB-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.37
Rot. Bonds5

About 4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one

4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one (PubChem CID 114440374) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one
PubChem CID114440374
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one
SMILESCCn1ncc(NCC(C)(C)c2cccs2)c(Cl)c1=O
InChIInChI=1S/C14H18ClN3OS/c1-4-18-13(19)12(15)10(8-17-18)16-9-14(2,3)11-6-5-7-20-11/h5-8,16H,4,9H2,1-3H3
InChIKeyIKHKUPQZIWSHDB-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-propan-2-ylpyridazin-3-one
CID 114440377
4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one
CID 114437766
5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one
CID 114447360
3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide
CID 114167431
4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
CID 114432236
4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one
CID 114437248
2,4-dimethyl-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione
CID 78962934
4-chloro-2-ethyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 114093724
4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
CID 114440604
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylethanesulfonamide
CID 106338048
4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one
CID 114440676
4-chloro-5-(1-thiophen-2-ylethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114433374

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one (CID 114440374) is 4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one is CCn1ncc(NCC(C)(C)c2cccs2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one?
The InChIKey is IKHKUPQZIWSHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-4-18-13(19)12(15)10(8-17-18)16-9-14(2,3)11-6-5-7-20-11/h5-8,16H,4,9H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one?
4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one has a molecular weight of 311.84 g/mol, XLogP of 3.37, 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-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one is sourced from PubChem (CID 114440374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).