4-benzylpyridazine

C11H10N2 — CID 598415

IUPAC4-benzylpyridazine
SMILESc1ccc(Cc2ccnnc2)cc1
InChIInChI=1S/C11H10N2/c1-2-4-10(5-3-1)8-11-6-7-12-13-9-11/h1-7,9H,8H2
InChIKeyDQWIPVDHLUQZBV-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.07
Rot. Bonds2

About 4-benzylpyridazine

4-benzylpyridazine (PubChem CID 598415) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-benzylpyridazine.

Molecular Properties

Compound Name4-benzylpyridazine
PubChem CID598415
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name4-benzylpyridazine
SMILESc1ccc(Cc2ccnnc2)cc1
InChIInChI=1S/C11H10N2/c1-2-4-10(5-3-1)8-11-6-7-12-13-9-11/h1-7,9H,8H2
InChIKeyDQWIPVDHLUQZBV-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 4-benzylpyridazine?
The IUPAC name of 4-benzylpyridazine (CID 598415) is 4-benzylpyridazine.
What is the SMILES notation for 4-benzylpyridazine?
The canonical SMILES for 4-benzylpyridazine is c1ccc(Cc2ccnnc2)cc1.
What is the InChIKey of 4-benzylpyridazine?
The InChIKey is DQWIPVDHLUQZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-4-10(5-3-1)8-11-6-7-12-13-9-11/h1-7,9H,8H2.
What are the key properties of 4-benzylpyridazine?
4-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 4-benzylpyridazine is sourced from PubChem (CID 598415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).