3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine

C17H18N2O — CID 19984783

IUPAC3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine
SMILESCCCc1ccc(C#Cc2ccc(OCC)cc2)nn1
InChIInChI=1S/C17H18N2O/c1-3-5-15-10-11-16(19-18-15)9-6-14-7-12-17(13-8-14)20-4-2/h7-8,10-13H,3-5H2,1-2H3
InChIKeyPUGNCGMKNBTSDA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.23
Rot. Bonds4

About 3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine

3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine (PubChem CID 19984783) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine.

Molecular Properties

Compound Name3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine
PubChem CID19984783
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine
SMILESCCCc1ccc(C#Cc2ccc(OCC)cc2)nn1
InChIInChI=1S/C17H18N2O/c1-3-5-15-10-11-16(19-18-15)9-6-14-7-12-17(13-8-14)20-4-2/h7-8,10-13H,3-5H2,1-2H3
InChIKeyPUGNCGMKNBTSDA-UHFFFAOYSA-N
XLogP3.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-butoxyphenyl)ethynyl]-6-octylpyridazine
CID 19983747
3-[2-(4-methoxyphenyl)ethynyl]-6-pentylpyridazine
CID 19984684
3,6-bis[2-(4-propoxyphenyl)ethynyl]pyridazine
CID 19984891
3,6-bis[2-(4-propylphenyl)ethynyl]pyridazine
CID 19985175
2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine
CID 19984964
3-[2-(4-butoxyphenyl)ethynyl]-6-chloropyridazine
CID 19984855
3-decyl-6-[2-(4-pent-1-enylphenyl)ethynyl]pyridazine
CID 54372193
1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 14744785
5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine
CID 173394270
5-methoxy-2-[2-(4-octylphenyl)ethynyl]pyridine
CID 19984898
1-ethoxy-4-[(E)-6-(4-hexylphenyl)hex-3-en-1,5-diynyl]benzene
CID 19424967
1-ethoxy-4-[2-(4-hept-3-enylphenyl)ethynyl]benzene
CID 139767234

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine?
The IUPAC name of 3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine (CID 19984783) is 3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine.
What is the SMILES notation for 3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine?
The canonical SMILES for 3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine is CCCc1ccc(C#Cc2ccc(OCC)cc2)nn1.
What is the InChIKey of 3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine?
The InChIKey is PUGNCGMKNBTSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-5-15-10-11-16(19-18-15)9-6-14-7-12-17(13-8-14)20-4-2/h7-8,10-13H,3-5H2,1-2H3.
What are the key properties of 3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine?
3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine has a molecular weight of 266.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxyphenyl)ethynyl]-6-propylpyridazine is sourced from PubChem (CID 19984783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).