3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid

C11H11N3O2S — CID 106896733

IUPAC3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CNCc1cccnn1
InChIInChI=1S/C11H11N3O2S/c15-11(16)10-8(3-5-17-10)6-12-7-9-2-1-4-13-14-9/h1-5,12H,6-7H2,(H,15,16)
InChIKeyBHLFZWVVGCAHFP-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.53
Rot. Bonds5

About 3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid

3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid (PubChem CID 106896733) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
PubChem CID106896733
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CNCc1cccnn1
InChIInChI=1S/C11H11N3O2S/c15-11(16)10-8(3-5-17-10)6-12-7-9-2-1-4-13-14-9/h1-5,12H,6-7H2,(H,15,16)
InChIKeyBHLFZWVVGCAHFP-UHFFFAOYSA-N
XLogP1.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid 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

3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide
CID 106832316
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
CID 103240321
3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103267005
3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 166263879
3-[(prop-2-enylamino)methyl]thiophene-2-carboxylic acid
CID 103230608
5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 106896708
2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid
CID 106895586
3-[(cyclohexylmethylamino)methyl]thiophene-2-carboxylic acid
CID 103237843
5-(pyridazin-3-ylmethylamino)pentanoic acid
CID 106896706
3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid
CID 103230956
1-benzyl-3-(pyridazin-3-ylmethyl)urea
CID 106831656
3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid
CID 103255615

Frequently Asked Questions

What is the IUPAC name of 3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid (CID 106896733) is 3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1CNCc1cccnn1.
What is the InChIKey of 3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid?
The InChIKey is BHLFZWVVGCAHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-11(16)10-8(3-5-17-10)6-12-7-9-2-1-4-13-14-9/h1-5,12H,6-7H2,(H,15,16).
What are the key properties of 3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid?
3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid has a molecular weight of 249.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106896733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).