2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide

C12H14N4O2S — CID 46961366

IUPAC2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2cc(N)c(=O)n(C(C)C(N)=O)n2)s1
InChIInChI=1S/C12H14N4O2S/c1-6-3-4-10(19-6)9-5-8(13)12(18)16(15-9)7(2)11(14)17/h3-5,7H,13H2,1-2H3,(H2,14,17)
InChIKeyZEAWCNPBULEJBO-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.91
Rot. Bonds3

About 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide

2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 46961366) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide
PubChem CID46961366
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2cc(N)c(=O)n(C(C)C(N)=O)n2)s1
InChIInChI=1S/C12H14N4O2S/c1-6-3-4-10(19-6)9-5-8(13)12(18)16(15-9)7(2)11(14)17/h3-5,7H,13H2,1-2H3,(H2,14,17)
InChIKeyZEAWCNPBULEJBO-UHFFFAOYSA-N
XLogP0.91
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide (CID 46961366) is 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide is Cc1ccc(-c2cc(N)c(=O)n(C(C)C(N)=O)n2)s1.
What is the InChIKey of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is ZEAWCNPBULEJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-6-3-4-10(19-6)9-5-8(13)12(18)16(15-9)7(2)11(14)17/h3-5,7H,13H2,1-2H3,(H2,14,17).
What are the key properties of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide?
2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 278.34 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 46961366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).