3-pentoxy-6-phenylpyridazine

C15H18N2O — CID 19760650

IUPAC3-pentoxy-6-phenylpyridazine
SMILESCCCCCOc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C15H18N2O/c1-2-3-7-12-18-15-11-10-14(16-17-15)13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3
InChIKeyHWSBUZWSUCRWPL-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.71
Rot. Bonds6

About 3-pentoxy-6-phenylpyridazine

3-pentoxy-6-phenylpyridazine (PubChem CID 19760650) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-pentoxy-6-phenylpyridazine.

Molecular Properties

Compound Name3-pentoxy-6-phenylpyridazine
PubChem CID19760650
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-pentoxy-6-phenylpyridazine
SMILESCCCCCOc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C15H18N2O/c1-2-3-7-12-18-15-11-10-14(16-17-15)13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3
InChIKeyHWSBUZWSUCRWPL-UHFFFAOYSA-N
XLogP3.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-heptoxy-6-(2-octoxyphenyl)pyridazine
CID 19909321
2-(6-phenylpyridazin-3-yl)oxyethanamine
CID 52903526
3-[4-[2-(4-decoxyphenyl)ethynyl]phenyl]-6-dodecoxypyridazine
CID 101460428
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
3-(4-dodecoxyphenyl)-6-(2-methylbutoxy)pyridazine;3-(2-methylbutoxy)-6-(4-undecoxyphenyl)pyridazine
CID 70427294
3-(4-heptoxyphenyl)-6-[(2R)-2-hexoxypropoxy]pyridazine
CID 18645450
3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-6-heptoxypyridazine
CID 15085080
3-dodecoxy-6-[2-(2-methylbutoxy)phenyl]pyridazine
CID 19909361
3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine
CID 22412684
6-hexoxypyridazin-3-amine
CID 11959089
N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
CID 26845120
3-(chloromethyl)-6-octoxypyridazine
CID 61269519

Frequently Asked Questions

What is the IUPAC name of 3-pentoxy-6-phenylpyridazine?
The IUPAC name of 3-pentoxy-6-phenylpyridazine (CID 19760650) is 3-pentoxy-6-phenylpyridazine.
What is the SMILES notation for 3-pentoxy-6-phenylpyridazine?
The canonical SMILES for 3-pentoxy-6-phenylpyridazine is CCCCCOc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 3-pentoxy-6-phenylpyridazine?
The InChIKey is HWSBUZWSUCRWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-3-7-12-18-15-11-10-14(16-17-15)13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3.
What are the key properties of 3-pentoxy-6-phenylpyridazine?
3-pentoxy-6-phenylpyridazine has a molecular weight of 242.32 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxy-6-phenylpyridazine is sourced from PubChem (CID 19760650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).