6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide

C11H12N4OS — CID 62844280

IUPAC6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(N)nn1)c1ccsc1
InChIInChI=1S/C11H12N4OS/c1-7(8-4-5-17-6-8)13-11(16)9-2-3-10(12)15-14-9/h2-7H,1H3,(H2,12,15)(H,13,16)
InChIKeyYIFKRGYTMZOKPE-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.61
Rot. Bonds3

About 6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide

6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide (PubChem CID 62844280) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide
PubChem CID62844280
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(N)nn1)c1ccsc1
InChIInChI=1S/C11H12N4OS/c1-7(8-4-5-17-6-8)13-11(16)9-2-3-10(12)15-14-9/h2-7H,1H3,(H2,12,15)(H,13,16)
InChIKeyYIFKRGYTMZOKPE-UHFFFAOYSA-N
XLogP1.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 62844800
6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 62159582
6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 55041899
6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 62845141
5-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrazine-2-carboxamide
CID 107378186
3-amino-N-(1-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 62840601
3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 104742232
3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide
CID 114038489
2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 62842689
5-amino-2-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 55122397
6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 62842868
5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 62843541

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide (CID 62844280) is 6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide is CC(NC(=O)c1ccc(N)nn1)c1ccsc1.
What is the InChIKey of 6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide?
The InChIKey is YIFKRGYTMZOKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7(8-4-5-17-6-8)13-11(16)9-2-3-10(12)15-14-9/h2-7H,1H3,(H2,12,15)(H,13,16).
What are the key properties of 6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide?
6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 62844280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).