4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one

C15H18N4O2S — CID 16676608

IUPAC4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
SMILESCC(C(=O)N1CCCC1)n1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C15H18N4O2S/c1-10(14(20)18-6-2-3-7-18)19-15(21)11(16)9-12(17-19)13-5-4-8-22-13/h4-5,8-10H,2-3,6-7,16H2,1H3
InChIKeyQUUJZJSPGWORPD-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.74
Rot. Bonds3

About 4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one

4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one (PubChem CID 16676608) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
PubChem CID16676608
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
SMILESCC(C(=O)N1CCCC1)n1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C15H18N4O2S/c1-10(14(20)18-6-2-3-7-18)19-15(21)11(16)9-12(17-19)13-5-4-8-22-13/h4-5,8-10H,2-3,6-7,16H2,1H3
InChIKeyQUUJZJSPGWORPD-UHFFFAOYSA-N
XLogP1.74
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one (CID 16676608) is 4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one is CC(C(=O)N1CCCC1)n1nc(-c2cccs2)cc(N)c1=O.
What is the InChIKey of 4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is QUUJZJSPGWORPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10(14(20)18-6-2-3-7-18)19-15(21)11(16)9-12(17-19)13-5-4-8-22-13/h4-5,8-10H,2-3,6-7,16H2,1H3.
What are the key properties of 4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 318.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 16676608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).