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

C14H23N3O2 — CID 103219984

IUPAC5-(cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
SMILESCC(C)CCOCCn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C14H23N3O2/c1-11(2)5-7-19-8-6-17-14(18)9-13(10-15-17)16-12-3-4-12/h9-12,16H,3-8H2,1-2H3
InChIKeyKSJBORCHLDVHDY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.88
Rot. Bonds8

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

5-(cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one (PubChem CID 103219984) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
PubChem CID103219984
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-(cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
SMILESCC(C)CCOCCn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C14H23N3O2/c1-11(2)5-7-19-8-6-17-14(18)9-13(10-15-17)16-12-3-4-12/h9-12,16H,3-8H2,1-2H3
InChIKeyKSJBORCHLDVHDY-UHFFFAOYSA-N
XLogP1.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.88
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-(cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-(cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one (CID 103219984) is 5-(cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one is CC(C)CCOCCn1ncc(NC2CC2)cc1=O.
What is the InChIKey of 5-(cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The InChIKey is KSJBORCHLDVHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)5-7-19-8-6-17-14(18)9-13(10-15-17)16-12-3-4-12/h9-12,16H,3-8H2,1-2H3.
What are the key properties of 5-(cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
5-(cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one has a molecular weight of 265.36 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103219984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).