6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide

C12H14N4O2S — CID 133403387

IUPAC6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N(CCO)Cc2ccsc2)nn1
InChIInChI=1S/C12H14N4O2S/c13-12(18)10-1-2-11(15-14-10)16(4-5-17)7-9-3-6-19-8-9/h1-3,6,8,17H,4-5,7H2,(H2,13,18)
InChIKeyXTDDZVBNLVHPJL-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.64
Rot. Bonds6

About 6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide

6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide (PubChem CID 133403387) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide
PubChem CID133403387
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N(CCO)Cc2ccsc2)nn1
InChIInChI=1S/C12H14N4O2S/c13-12(18)10-1-2-11(15-14-10)16(4-5-17)7-9-3-6-19-8-9/h1-3,6,8,17H,4-5,7H2,(H2,13,18)
InChIKeyXTDDZVBNLVHPJL-UHFFFAOYSA-N
XLogP0.64
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-amino-N-methyl-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 62155302
2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide
CID 133403444
N-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide
CID 133403421
N-benzyl-N-(2-hydroxyethyl)-2-thiophen-3-ylacetamide
CID 60653994
2-[7H-purin-6-yl(thiophen-3-ylmethyl)amino]ethanol
CID 133403413
6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide
CID 122143450
6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 103864932
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 107485003
N-(2-hydroxyethyl)-1-phenyl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 75421892
1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 83126332
3-[4-methyl-N-(thiophen-3-ylmethyl)anilino]propanoic acid
CID 54926079

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide (CID 133403387) is 6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide is NC(=O)c1ccc(N(CCO)Cc2ccsc2)nn1.
What is the InChIKey of 6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide?
The InChIKey is XTDDZVBNLVHPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-12(18)10-1-2-11(15-14-10)16(4-5-17)7-9-3-6-19-8-9/h1-3,6,8,17H,4-5,7H2,(H2,13,18).
What are the key properties of 6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide?
6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 133403387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).