6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine

C11H18ClN3O2 — CID 54989774

IUPAC6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine
SMILESCOCCCN(CCOC)c1ccc(Cl)nn1
InChIInChI=1S/C11H18ClN3O2/c1-16-8-3-6-15(7-9-17-2)11-5-4-10(12)13-14-11/h4-5H,3,6-9H2,1-2H3
InChIKeyREIYAXUJKGVBGP-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.62
Rot. Bonds8

About 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine

6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine (PubChem CID 54989774) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine
PubChem CID54989774
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine
SMILESCOCCCN(CCOC)c1ccc(Cl)nn1
InChIInChI=1S/C11H18ClN3O2/c1-16-8-3-6-15(7-9-17-2)11-5-4-10(12)13-14-11/h4-5H,3,6-9H2,1-2H3
InChIKeyREIYAXUJKGVBGP-UHFFFAOYSA-N
XLogP1.62
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine (CID 54989774) is 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine is COCCCN(CCOC)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine?
The InChIKey is REIYAXUJKGVBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-16-8-3-6-15(7-9-17-2)11-5-4-10(12)13-14-11/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine?
6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine has a molecular weight of 259.74 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine is sourced from PubChem (CID 54989774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).