6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine

C15H19BrN4S — CID 167857979

IUPAC6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine
SMILESCN(CC1CCNCC1)c1ccc(-c2ccc(Br)s2)nn1
InChIInChI=1S/C15H19BrN4S/c1-20(10-11-6-8-17-9-7-11)15-5-2-12(18-19-15)13-3-4-14(16)21-13/h2-5,11,17H,6-10H2,1H3
InChIKeyBTPPBMKECIIHDI-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.40
Rot. Bonds4

About 6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine

6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine (PubChem CID 167857979) has the molecular formula C15H19BrN4S and a molecular weight of 367.32 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine
PubChem CID167857979
Molecular FormulaC15H19BrN4S
Molecular Weight367.32 g/mol
Exact Mass366.05
IUPAC Name6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine
SMILESCN(CC1CCNCC1)c1ccc(-c2ccc(Br)s2)nn1
InChIInChI=1S/C15H19BrN4S/c1-20(10-11-6-8-17-9-7-11)15-5-2-12(18-19-15)13-3-4-14(16)21-13/h2-5,11,17H,6-10H2,1H3
InChIKeyBTPPBMKECIIHDI-UHFFFAOYSA-N
XLogP3.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-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 6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine?
The IUPAC name of 6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine (CID 167857979) is 6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine is CN(CC1CCNCC1)c1ccc(-c2ccc(Br)s2)nn1.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine?
The InChIKey is BTPPBMKECIIHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4S/c1-20(10-11-6-8-17-9-7-11)15-5-2-12(18-19-15)13-3-4-14(16)21-13/h2-5,11,17H,6-10H2,1H3.
What are the key properties of 6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine?
6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine has a molecular weight of 367.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 167857979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).