6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine

C9H9ClN4S — CID 130834903

IUPAC6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine
SMILESCN(Cc1nccs1)c1ccc(Cl)nn1
InChIInChI=1S/C9H9ClN4S/c1-14(6-9-11-4-5-15-9)8-3-2-7(10)12-13-8/h2-5H,6H2,1H3
InChIKeyMNIUEEFOIFEOFM-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.22
Rot. Bonds3

About 6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine

6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine (PubChem CID 130834903) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine
PubChem CID130834903
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine
SMILESCN(Cc1nccs1)c1ccc(Cl)nn1
InChIInChI=1S/C9H9ClN4S/c1-14(6-9-11-4-5-15-9)8-3-2-7(10)12-13-8/h2-5H,6H2,1H3
InChIKeyMNIUEEFOIFEOFM-UHFFFAOYSA-N
XLogP2.22
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine (CID 130834903) is 6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine is CN(Cc1nccs1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine?
The InChIKey is MNIUEEFOIFEOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-14(6-9-11-4-5-15-9)8-3-2-7(10)12-13-8/h2-5H,6H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine?
6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine has a molecular weight of 240.72 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 130834903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).