2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine

C14H17N3 — CID 82288033

IUPAC2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine
SMILESCCc1ccc(-c2ccc(CCN)nn2)cc1
InChIInChI=1S/C14H17N3/c1-2-11-3-5-12(6-4-11)14-8-7-13(9-10-15)16-17-14/h3-8H,2,9-10,15H2,1H3
InChIKeyZOWYOGCMUKVINM-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.21
Rot. Bonds4

About 2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine

2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine (PubChem CID 82288033) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine
PubChem CID82288033
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine
SMILESCCc1ccc(-c2ccc(CCN)nn2)cc1
InChIInChI=1S/C14H17N3/c1-2-11-3-5-12(6-4-11)14-8-7-13(9-10-15)16-17-14/h3-8H,2,9-10,15H2,1H3
InChIKeyZOWYOGCMUKVINM-UHFFFAOYSA-N
XLogP2.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine?
The IUPAC name of 2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine (CID 82288033) is 2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine.
What is the SMILES notation for 2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine?
The canonical SMILES for 2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine is CCc1ccc(-c2ccc(CCN)nn2)cc1.
What is the InChIKey of 2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine?
The InChIKey is ZOWYOGCMUKVINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-11-3-5-12(6-4-11)14-8-7-13(9-10-15)16-17-14/h3-8H,2,9-10,15H2,1H3.
What are the key properties of 2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine?
2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine is sourced from PubChem (CID 82288033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).