6-pentoxy-3,4-diphenylpyridazine

C21H22N2O — CID 10947107

IUPAC6-pentoxy-3,4-diphenylpyridazine
SMILESCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C21H22N2O/c1-2-3-10-15-24-20-16-19(17-11-6-4-7-12-17)21(23-22-20)18-13-8-5-9-14-18/h4-9,11-14,16H,2-3,10,15H2,1H3
InChIKeyQFSCXOONTCQBKQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.38
Rot. Bonds7

About 6-pentoxy-3,4-diphenylpyridazine

6-pentoxy-3,4-diphenylpyridazine (PubChem CID 10947107) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-pentoxy-3,4-diphenylpyridazine.

Molecular Properties

Compound Name6-pentoxy-3,4-diphenylpyridazine
PubChem CID10947107
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name6-pentoxy-3,4-diphenylpyridazine
SMILESCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C21H22N2O/c1-2-3-10-15-24-20-16-19(17-11-6-4-7-12-17)21(23-22-20)18-13-8-5-9-14-18/h4-9,11-14,16H,2-3,10,15H2,1H3
InChIKeyQFSCXOONTCQBKQ-UHFFFAOYSA-N
XLogP5.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.38
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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Frequently Asked Questions

What is the IUPAC name of 6-pentoxy-3,4-diphenylpyridazine?
The IUPAC name of 6-pentoxy-3,4-diphenylpyridazine (CID 10947107) is 6-pentoxy-3,4-diphenylpyridazine.
What is the SMILES notation for 6-pentoxy-3,4-diphenylpyridazine?
The canonical SMILES for 6-pentoxy-3,4-diphenylpyridazine is CCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1.
What is the InChIKey of 6-pentoxy-3,4-diphenylpyridazine?
The InChIKey is QFSCXOONTCQBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-2-3-10-15-24-20-16-19(17-11-6-4-7-12-17)21(23-22-20)18-13-8-5-9-14-18/h4-9,11-14,16H,2-3,10,15H2,1H3.
What are the key properties of 6-pentoxy-3,4-diphenylpyridazine?
6-pentoxy-3,4-diphenylpyridazine has a molecular weight of 318.42 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentoxy-3,4-diphenylpyridazine is sourced from PubChem (CID 10947107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).