5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one

C14H17N3O2S — CID 16756418

IUPAC5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one
SMILESCCCCn1nc(-c2cccs2)c(C(C)=O)c(N)c1=O
InChIInChI=1S/C14H17N3O2S/c1-3-4-7-17-14(19)12(15)11(9(2)18)13(16-17)10-6-5-8-20-10/h5-6,8H,3-4,7,15H2,1-2H3
InChIKeyIVPNSMDDDORZAB-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.56
Rot. Bonds5

About 5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one

5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one (PubChem CID 16756418) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one
PubChem CID16756418
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one
SMILESCCCCn1nc(-c2cccs2)c(C(C)=O)c(N)c1=O
InChIInChI=1S/C14H17N3O2S/c1-3-4-7-17-14(19)12(15)11(9(2)18)13(16-17)10-6-5-8-20-10/h5-6,8H,3-4,7,15H2,1-2H3
InChIKeyIVPNSMDDDORZAB-UHFFFAOYSA-N
XLogP2.56
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one (CID 16756418) is 5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one is CCCCn1nc(-c2cccs2)c(C(C)=O)c(N)c1=O.
What is the InChIKey of 5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is IVPNSMDDDORZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-4-7-17-14(19)12(15)11(9(2)18)13(16-17)10-6-5-8-20-10/h5-6,8H,3-4,7,15H2,1-2H3.
What are the key properties of 5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one?
5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 291.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-butyl-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 16756418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).