3-(2-phenylethyl)pyridazine

C12H12N2 — CID 603096

IUPAC3-(2-phenylethyl)pyridazine
SMILESc1ccc(CCc2cccnn2)cc1
InChIInChI=1S/C12H12N2/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-14-12/h1-7,10H,8-9H2
InChIKeyPGRFFRRAHWQALQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.26
Rot. Bonds3

About 3-(2-phenylethyl)pyridazine

3-(2-phenylethyl)pyridazine (PubChem CID 603096) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(2-phenylethyl)pyridazine.

Molecular Properties

Compound Name3-(2-phenylethyl)pyridazine
PubChem CID603096
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name3-(2-phenylethyl)pyridazine
SMILESc1ccc(CCc2cccnn2)cc1
InChIInChI=1S/C12H12N2/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-14-12/h1-7,10H,8-9H2
InChIKeyPGRFFRRAHWQALQ-UHFFFAOYSA-N
XLogP2.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylcinnoline
CID 26843
4-(2-Phenylethenyl)cinnoline
CID 22797
3-Phenylpyridazine
CID 193499
4-Phenylcinnoline
CID 609867
3-Methyl-5-phenylpyridazine
CID 2736934
3-[6-(3,4-Difluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10379616
3-(6-Phenyl-pyridazin-4-yl)-benzonitrile
CID 10400221
3-[6-(3-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401160
3-[6-(2-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401161
3-[6-(4-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401162
3-[6-(2,4-Difluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10424461
3,5-Diphenylpyridazine
CID 10443943

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)pyridazine?
The IUPAC name of 3-(2-phenylethyl)pyridazine (CID 603096) is 3-(2-phenylethyl)pyridazine.
What is the SMILES notation for 3-(2-phenylethyl)pyridazine?
The canonical SMILES for 3-(2-phenylethyl)pyridazine is c1ccc(CCc2cccnn2)cc1.
What is the InChIKey of 3-(2-phenylethyl)pyridazine?
The InChIKey is PGRFFRRAHWQALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-14-12/h1-7,10H,8-9H2.
What are the key properties of 3-(2-phenylethyl)pyridazine?
3-(2-phenylethyl)pyridazine has a molecular weight of 184.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)pyridazine is sourced from PubChem (CID 603096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).