3-benzyl-6-methylpyridazine

C12H12N2 — CID 89117444

IUPAC3-benzyl-6-methylpyridazine
SMILESCc1ccc(Cc2ccccc2)nn1
InChIInChI=1S/C12H12N2/c1-10-7-8-12(14-13-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyWYYZSFKVVPHGQP-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.38
Rot. Bonds2

About 3-benzyl-6-methylpyridazine

3-benzyl-6-methylpyridazine (PubChem CID 89117444) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-benzyl-6-methylpyridazine.

Molecular Properties

Compound Name3-benzyl-6-methylpyridazine
PubChem CID89117444
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name3-benzyl-6-methylpyridazine
SMILESCc1ccc(Cc2ccccc2)nn1
InChIInChI=1S/C12H12N2/c1-10-7-8-12(14-13-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyWYYZSFKVVPHGQP-UHFFFAOYSA-N
XLogP2.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-methylpyridazine?
The IUPAC name of 3-benzyl-6-methylpyridazine (CID 89117444) is 3-benzyl-6-methylpyridazine.
What is the SMILES notation for 3-benzyl-6-methylpyridazine?
The canonical SMILES for 3-benzyl-6-methylpyridazine is Cc1ccc(Cc2ccccc2)nn1.
What is the InChIKey of 3-benzyl-6-methylpyridazine?
The InChIKey is WYYZSFKVVPHGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-10-7-8-12(14-13-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 3-benzyl-6-methylpyridazine?
3-benzyl-6-methylpyridazine has a molecular weight of 184.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-methylpyridazine is sourced from PubChem (CID 89117444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).