5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one

C13H23N3O2 — CID 103219174

IUPAC5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
SMILESCCNc1cnn(CCOCCC(C)C)c(=O)c1
InChIInChI=1S/C13H23N3O2/c1-4-14-12-9-13(17)16(15-10-12)6-8-18-7-5-11(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyPAQJDONWHJGZRX-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.74
Rot. Bonds8

About 5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one

5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one (PubChem CID 103219174) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
PubChem CID103219174
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
SMILESCCNc1cnn(CCOCCC(C)C)c(=O)c1
InChIInChI=1S/C13H23N3O2/c1-4-14-12-9-13(17)16(15-10-12)6-8-18-7-5-11(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyPAQJDONWHJGZRX-UHFFFAOYSA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
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 5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one (CID 103219174) is 5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one is CCNc1cnn(CCOCCC(C)C)c(=O)c1.
What is the InChIKey of 5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The InChIKey is PAQJDONWHJGZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-14-12-9-13(17)16(15-10-12)6-8-18-7-5-11(2)3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one has a molecular weight of 253.35 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103219174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).