4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one

C15H18ClN3OS — CID 114434873

IUPAC4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2cc3c(s2)CCC3)c(Cl)c1=O
InChIInChI=1S/C15H18ClN3OS/c1-2-6-19-15(20)14(16)12(9-18-19)17-8-11-7-10-4-3-5-13(10)21-11/h7,9,17H,2-6,8H2,1H3
InChIKeyORBRMFIRDPIPHG-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.47
Rot. Bonds5

About 4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one

4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one (PubChem CID 114434873) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one
PubChem CID114434873
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2cc3c(s2)CCC3)c(Cl)c1=O
InChIInChI=1S/C15H18ClN3OS/c1-2-6-19-15(20)14(16)12(9-18-19)17-8-11-7-10-4-3-5-13(10)21-11/h7,9,17H,2-6,8H2,1H3
InChIKeyORBRMFIRDPIPHG-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one with MolForge

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Related Compounds

4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one
CID 106373847
4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114443493
4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114434597
4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114433908
4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114438693
4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one
CID 114437402
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
4-chloro-5-[(2,2-dimethylcyclopropyl)methylamino]-2-propylpyridazin-3-one
CID 114108582
4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one
CID 106303437
5-[(5-bromo-2-fluorophenyl)methylamino]-4-chloro-2-propylpyridazin-3-one
CID 114435119
4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114442139
5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
CID 114442009

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one (CID 114434873) is 4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one is CCCn1ncc(NCc2cc3c(s2)CCC3)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one?
The InChIKey is ORBRMFIRDPIPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-2-6-19-15(20)14(16)12(9-18-19)17-8-11-7-10-4-3-5-13(10)21-11/h7,9,17H,2-6,8H2,1H3.
What are the key properties of 4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one?
4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one has a molecular weight of 323.85 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114434873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).