4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one

C15H18ClN3OS — CID 114437402

IUPAC4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one
SMILESCCCn1ncc(NC2CCCc3sccc32)c(Cl)c1=O
InChIInChI=1S/C15H18ClN3OS/c1-2-7-19-15(20)14(16)12(9-17-19)18-11-4-3-5-13-10(11)6-8-21-13/h6,8-9,11,18H,2-5,7H2,1H3
InChIKeyGIVLPNILNYLULM-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.86
Rot. Bonds4

About 4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one

4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one (PubChem CID 114437402) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one
PubChem CID114437402
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one
SMILESCCCn1ncc(NC2CCCc3sccc32)c(Cl)c1=O
InChIInChI=1S/C15H18ClN3OS/c1-2-7-19-15(20)14(16)12(9-17-19)18-11-4-3-5-13-10(11)6-8-21-13/h6,8-9,11,18H,2-5,7H2,1H3
InChIKeyGIVLPNILNYLULM-UHFFFAOYSA-N
XLogP3.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-prop-2-enyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one
CID 114437396
2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106258403
2-butyl-4-chloro-5-(thian-4-ylamino)pyridazin-3-one
CID 114443013
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047
4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine
CID 106570720
4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114438693
4-chloro-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-propylpyridazin-3-one
CID 114434873
N-(4-bromo-2,3-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 107787596
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114437934
4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446541
2-butyl-4-chloro-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114438991

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one (CID 114437402) is 4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one is CCCn1ncc(NC2CCCc3sccc32)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one?
The InChIKey is GIVLPNILNYLULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-2-7-19-15(20)14(16)12(9-17-19)18-11-4-3-5-13-10(11)6-8-21-13/h6,8-9,11,18H,2-5,7H2,1H3.
What are the key properties of 4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one?
4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one has a molecular weight of 323.85 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridazin-3-one is sourced from PubChem (CID 114437402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).