5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine

C10H6ClN3S — CID 153398247

IUPAC5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine
SMILESNc1cc(C#Cc2cccnn2)c(Cl)s1
InChIInChI=1S/C10H6ClN3S/c11-10-7(6-9(12)15-10)3-4-8-2-1-5-13-14-8/h1-2,5-6H,12H2
InChIKeyNTTXUIGGCWZEDL-UHFFFAOYSA-N
MW235.70 g/mol
LogP2.17
Rot. Bonds

About 5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine

5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine (PubChem CID 153398247) has the molecular formula C10H6ClN3S and a molecular weight of 235.70 g/mol. Its IUPAC name is 5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine
PubChem CID153398247
Molecular FormulaC10H6ClN3S
Molecular Weight235.70 g/mol
Exact Mass235.00
IUPAC Name5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine
SMILESNc1cc(C#Cc2cccnn2)c(Cl)s1
InChIInChI=1S/C10H6ClN3S/c11-10-7(6-9(12)15-10)3-4-8-2-1-5-13-14-8/h1-2,5-6H,12H2
InChIKeyNTTXUIGGCWZEDL-UHFFFAOYSA-N
XLogP2.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine?
The IUPAC name of 5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine (CID 153398247) is 5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine.
What is the SMILES notation for 5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine?
The canonical SMILES for 5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine is Nc1cc(C#Cc2cccnn2)c(Cl)s1.
What is the InChIKey of 5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine?
The InChIKey is NTTXUIGGCWZEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3S/c11-10-7(6-9(12)15-10)3-4-8-2-1-5-13-14-8/h1-2,5-6H,12H2.
What are the key properties of 5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine?
5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine has a molecular weight of 235.70 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-pyridazin-3-ylethynyl)thiophen-2-amine is sourced from PubChem (CID 153398247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).