3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide

C16H16N6O2S — CID 69331975

IUPAC3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide
SMILESCC(C)n1nc(-c2nc(C(N)=O)c(N)nc2-c2cccs2)ccc1=O
InChIInChI=1S/C16H16N6O2S/c1-8(2)22-11(23)6-5-9(21-22)12-13(10-4-3-7-25-10)20-15(17)14(19-12)16(18)24/h3-8H,1-2H3,(H2,17,20)(H2,18,24)
InChIKeyXLYMTENCTBREBE-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.69
Rot. Bonds4

About 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide

3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide (PubChem CID 69331975) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide
PubChem CID69331975
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC Name3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide
SMILESCC(C)n1nc(-c2nc(C(N)=O)c(N)nc2-c2cccs2)ccc1=O
InChIInChI=1S/C16H16N6O2S/c1-8(2)22-11(23)6-5-9(21-22)12-13(10-4-3-7-25-10)20-15(17)14(19-12)16(18)24/h3-8H,1-2H3,(H2,17,20)(H2,18,24)
InChIKeyXLYMTENCTBREBE-UHFFFAOYSA-N
XLogP1.69
TPSA129.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide (CID 69331975) is 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide is CC(C)n1nc(-c2nc(C(N)=O)c(N)nc2-c2cccs2)ccc1=O.
What is the InChIKey of 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide?
The InChIKey is XLYMTENCTBREBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-8(2)22-11(23)6-5-9(21-22)12-13(10-4-3-7-25-10)20-15(17)14(19-12)16(18)24/h3-8H,1-2H3,(H2,17,20)(H2,18,24).
What are the key properties of 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide?
3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 69331975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).