5-(6-ethoxypyridazin-3-yl)-2-methylaniline

C13H15N3O — CID 52903889

IUPAC5-(6-ethoxypyridazin-3-yl)-2-methylaniline
SMILESCCOc1ccc(-c2ccc(C)c(N)c2)nn1
InChIInChI=1S/C13H15N3O/c1-3-17-13-7-6-12(15-16-13)10-5-4-9(2)11(14)8-10/h4-8H,3,14H2,1-2H3
InChIKeyLZTXFCRXHUEKHQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.43
Rot. Bonds3

About 5-(6-ethoxypyridazin-3-yl)-2-methylaniline

5-(6-ethoxypyridazin-3-yl)-2-methylaniline (PubChem CID 52903889) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(6-ethoxypyridazin-3-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(6-ethoxypyridazin-3-yl)-2-methylaniline
PubChem CID52903889
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-(6-ethoxypyridazin-3-yl)-2-methylaniline
SMILESCCOc1ccc(-c2ccc(C)c(N)c2)nn1
InChIInChI=1S/C13H15N3O/c1-3-17-13-7-6-12(15-16-13)10-5-4-9(2)11(14)8-10/h4-8H,3,14H2,1-2H3
InChIKeyLZTXFCRXHUEKHQ-UHFFFAOYSA-N
XLogP2.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.43
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 5-(6-ethoxypyridazin-3-yl)-2-methylaniline?
The IUPAC name of 5-(6-ethoxypyridazin-3-yl)-2-methylaniline (CID 52903889) is 5-(6-ethoxypyridazin-3-yl)-2-methylaniline.
What is the SMILES notation for 5-(6-ethoxypyridazin-3-yl)-2-methylaniline?
The canonical SMILES for 5-(6-ethoxypyridazin-3-yl)-2-methylaniline is CCOc1ccc(-c2ccc(C)c(N)c2)nn1.
What is the InChIKey of 5-(6-ethoxypyridazin-3-yl)-2-methylaniline?
The InChIKey is LZTXFCRXHUEKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-17-13-7-6-12(15-16-13)10-5-4-9(2)11(14)8-10/h4-8H,3,14H2,1-2H3.
What are the key properties of 5-(6-ethoxypyridazin-3-yl)-2-methylaniline?
5-(6-ethoxypyridazin-3-yl)-2-methylaniline has a molecular weight of 229.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethoxypyridazin-3-yl)-2-methylaniline is sourced from PubChem (CID 52903889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).