1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine

C11H10BrN5S — CID 116822434

IUPAC1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine
SMILESCNCc1nnc2ccc(-c3cc(Br)cs3)nn12
InChIInChI=1S/C11H10BrN5S/c1-13-5-11-15-14-10-3-2-8(16-17(10)11)9-4-7(12)6-18-9/h2-4,6,13H,5H2,1H3
InChIKeyNCCLEPWQJNGJLP-UHFFFAOYSA-N
MW324.21 g/mol
LogP2.33
Rot. Bonds3

About 1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine

1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine (PubChem CID 116822434) has the molecular formula C11H10BrN5S and a molecular weight of 324.21 g/mol. Its IUPAC name is 1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine
PubChem CID116822434
Molecular FormulaC11H10BrN5S
Molecular Weight324.21 g/mol
Exact Mass322.98
IUPAC Name1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine
SMILESCNCc1nnc2ccc(-c3cc(Br)cs3)nn12
InChIInChI=1S/C11H10BrN5S/c1-13-5-11-15-14-10-3-2-8(16-17(10)11)9-4-7(12)6-18-9/h2-4,6,13H,5H2,1H3
InChIKeyNCCLEPWQJNGJLP-UHFFFAOYSA-N
XLogP2.33
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine (CID 116822434) is 1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine is CNCc1nnc2ccc(-c3cc(Br)cs3)nn12.
What is the InChIKey of 1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine?
The InChIKey is NCCLEPWQJNGJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5S/c1-13-5-11-15-14-10-3-2-8(16-17(10)11)9-4-7(12)6-18-9/h2-4,6,13H,5H2,1H3.
What are the key properties of 1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine?
1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine has a molecular weight of 324.21 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 116822434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).