3-benzyl-6-chloro-4-methylpyridazine

C12H11ClN2 — CID 71445564

IUPAC3-benzyl-6-chloro-4-methylpyridazine
SMILESCc1cc(Cl)nnc1Cc1ccccc1
InChIInChI=1S/C12H11ClN2/c1-9-7-12(13)15-14-11(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyTXXXXWIIICDXQJ-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.03
Rot. Bonds2

About 3-benzyl-6-chloro-4-methylpyridazine

3-benzyl-6-chloro-4-methylpyridazine (PubChem CID 71445564) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 3-benzyl-6-chloro-4-methylpyridazine.

Molecular Properties

Compound Name3-benzyl-6-chloro-4-methylpyridazine
PubChem CID71445564
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name3-benzyl-6-chloro-4-methylpyridazine
SMILESCc1cc(Cl)nnc1Cc1ccccc1
InChIInChI=1S/C12H11ClN2/c1-9-7-12(13)15-14-11(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyTXXXXWIIICDXQJ-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-chloro-4-methylpyridazine?
The IUPAC name of 3-benzyl-6-chloro-4-methylpyridazine (CID 71445564) is 3-benzyl-6-chloro-4-methylpyridazine.
What is the SMILES notation for 3-benzyl-6-chloro-4-methylpyridazine?
The canonical SMILES for 3-benzyl-6-chloro-4-methylpyridazine is Cc1cc(Cl)nnc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-chloro-4-methylpyridazine?
The InChIKey is TXXXXWIIICDXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-9-7-12(13)15-14-11(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 3-benzyl-6-chloro-4-methylpyridazine?
3-benzyl-6-chloro-4-methylpyridazine has a molecular weight of 218.69 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-chloro-4-methylpyridazine is sourced from PubChem (CID 71445564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).