6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine

C19H20N4 — CID 58525230

IUPAC6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine
SMILESCCN(Cc1ccccc1)c1ccc(-c2cccc(N)c2)nn1
InChIInChI=1S/C19H20N4/c1-2-23(14-15-7-4-3-5-8-15)19-12-11-18(21-22-19)16-9-6-10-17(20)13-16/h3-13H,2,14,20H2,1H3
InChIKeyCYSWIZBWFAYONJ-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.75
Rot. Bonds5

About 6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine

6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine (PubChem CID 58525230) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine.

Molecular Properties

Compound Name6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine
PubChem CID58525230
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine
SMILESCCN(Cc1ccccc1)c1ccc(-c2cccc(N)c2)nn1
InChIInChI=1S/C19H20N4/c1-2-23(14-15-7-4-3-5-8-15)19-12-11-18(21-22-19)16-9-6-10-17(20)13-16/h3-13H,2,14,20H2,1H3
InChIKeyCYSWIZBWFAYONJ-UHFFFAOYSA-N
XLogP3.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine?
The IUPAC name of 6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine (CID 58525230) is 6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine.
What is the SMILES notation for 6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine?
The canonical SMILES for 6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine is CCN(Cc1ccccc1)c1ccc(-c2cccc(N)c2)nn1.
What is the InChIKey of 6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine?
The InChIKey is CYSWIZBWFAYONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-2-23(14-15-7-4-3-5-8-15)19-12-11-18(21-22-19)16-9-6-10-17(20)13-16/h3-13H,2,14,20H2,1H3.
What are the key properties of 6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine?
6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine has a molecular weight of 304.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine is sourced from PubChem (CID 58525230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).