4-(1-phenylethyl)pyridazine

C12H12N2 — CID 13316265

IUPAC4-(1-phenylethyl)pyridazine
SMILESCC(c1ccccc1)c1ccnnc1
InChIInChI=1S/C12H12N2/c1-10(11-5-3-2-4-6-11)12-7-8-13-14-9-12/h2-10H,1H3
InChIKeyKVBSIBGVOHZLPF-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.63
Rot. Bonds2

About 4-(1-phenylethyl)pyridazine

4-(1-phenylethyl)pyridazine (PubChem CID 13316265) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-(1-phenylethyl)pyridazine.

Molecular Properties

Compound Name4-(1-phenylethyl)pyridazine
PubChem CID13316265
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name4-(1-phenylethyl)pyridazine
SMILESCC(c1ccccc1)c1ccnnc1
InChIInChI=1S/C12H12N2/c1-10(11-5-3-2-4-6-11)12-7-8-13-14-9-12/h2-10H,1H3
InChIKeyKVBSIBGVOHZLPF-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)pyridazine?
The IUPAC name of 4-(1-phenylethyl)pyridazine (CID 13316265) is 4-(1-phenylethyl)pyridazine.
What is the SMILES notation for 4-(1-phenylethyl)pyridazine?
The canonical SMILES for 4-(1-phenylethyl)pyridazine is CC(c1ccccc1)c1ccnnc1.
What is the InChIKey of 4-(1-phenylethyl)pyridazine?
The InChIKey is KVBSIBGVOHZLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-10(11-5-3-2-4-6-11)12-7-8-13-14-9-12/h2-10H,1H3.
What are the key properties of 4-(1-phenylethyl)pyridazine?
4-(1-phenylethyl)pyridazine has a molecular weight of 184.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyl)pyridazine is sourced from PubChem (CID 13316265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).