N-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine

C9H7BrClN3S — CID 130747944

IUPACN-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine
SMILESClc1ccc(NCc2csc(Br)c2)nn1
InChIInChI=1S/C9H7BrClN3S/c10-7-3-6(5-15-7)4-12-9-2-1-8(11)13-14-9/h1-3,5H,4H2,(H,12,14)
InChIKeyFEMYXWDKKNHTOH-UHFFFAOYSA-N
MW304.60 g/mol
LogP3.57
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine

N-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine (PubChem CID 130747944) has the molecular formula C9H7BrClN3S and a molecular weight of 304.60 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine
PubChem CID130747944
Molecular FormulaC9H7BrClN3S
Molecular Weight304.60 g/mol
Exact Mass302.92
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine
SMILESClc1ccc(NCc2csc(Br)c2)nn1
InChIInChI=1S/C9H7BrClN3S/c10-7-3-6(5-15-7)4-12-9-2-1-8(11)13-14-9/h1-3,5H,4H2,(H,12,14)
InChIKeyFEMYXWDKKNHTOH-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine 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 N-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine (CID 130747944) is N-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine is Clc1ccc(NCc2csc(Br)c2)nn1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine?
The InChIKey is FEMYXWDKKNHTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3S/c10-7-3-6(5-15-7)4-12-9-2-1-8(11)13-14-9/h1-3,5H,4H2,(H,12,14).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine?
N-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine has a molecular weight of 304.60 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-6-chloropyridazin-3-amine is sourced from PubChem (CID 130747944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).