5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one

C13H21N3O2 — CID 103221770

IUPAC5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one
SMILESCOCCCCn1ncc(NCC2CC2)cc1=O
InChIInChI=1S/C13H21N3O2/c1-18-7-3-2-6-16-13(17)8-12(10-15-16)14-9-11-4-5-11/h8,10-11,14H,2-7,9H2,1H3
InChIKeyWDUYQZXSDSEBKP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.49
Rot. Bonds8

About 5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one

5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one (PubChem CID 103221770) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one
PubChem CID103221770
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one
SMILESCOCCCCn1ncc(NCC2CC2)cc1=O
InChIInChI=1S/C13H21N3O2/c1-18-7-3-2-6-16-13(17)8-12(10-15-16)14-9-11-4-5-11/h8,10-11,14H,2-7,9H2,1H3
InChIKeyWDUYQZXSDSEBKP-UHFFFAOYSA-N
XLogP1.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.49
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-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one?
The IUPAC name of 5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one (CID 103221770) is 5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one is COCCCCn1ncc(NCC2CC2)cc1=O.
What is the InChIKey of 5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one?
The InChIKey is WDUYQZXSDSEBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-7-3-2-6-16-13(17)8-12(10-15-16)14-9-11-4-5-11/h8,10-11,14H,2-7,9H2,1H3.
What are the key properties of 5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one?
5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one has a molecular weight of 251.33 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one is sourced from PubChem (CID 103221770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).