3-benzylpyridazine

C11H10N2 — CID 598149

IUPAC3-benzylpyridazine
SMILESc1ccc(Cc2cccnn2)cc1
InChIInChI=1S/C11H10N2/c1-2-5-10(6-3-1)9-11-7-4-8-12-13-11/h1-8H,9H2
InChIKeyVSAGNNLBESKHMW-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.07
Rot. Bonds2

About 3-benzylpyridazine

3-benzylpyridazine (PubChem CID 598149) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-benzylpyridazine.

Molecular Properties

Compound Name3-benzylpyridazine
PubChem CID598149
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name3-benzylpyridazine
SMILESc1ccc(Cc2cccnn2)cc1
InChIInChI=1S/C11H10N2/c1-2-5-10(6-3-1)9-11-7-4-8-12-13-11/h1-8H,9H2
InChIKeyVSAGNNLBESKHMW-UHFFFAOYSA-N
XLogP2.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzylpyridazine?
The IUPAC name of 3-benzylpyridazine (CID 598149) is 3-benzylpyridazine.
What is the SMILES notation for 3-benzylpyridazine?
The canonical SMILES for 3-benzylpyridazine is c1ccc(Cc2cccnn2)cc1.
What is the InChIKey of 3-benzylpyridazine?
The InChIKey is VSAGNNLBESKHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-5-10(6-3-1)9-11-7-4-8-12-13-11/h1-8H,9H2.
What are the key properties of 3-benzylpyridazine?
3-benzylpyridazine has a molecular weight of 170.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylpyridazine is sourced from PubChem (CID 598149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).