2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one

C15H15N3O2 — CID 62562619

IUPAC2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1CCNCc1ccco1
InChIInChI=1S/C15H15N3O2/c19-15-14-6-2-1-4-12(14)10-17-18(15)8-7-16-11-13-5-3-9-20-13/h1-6,9-10,16H,7-8,11H2
InChIKeyYJCCLKLJRAXGMR-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.78
Rot. Bonds5

About 2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one

2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one (PubChem CID 62562619) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one
PubChem CID62562619
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1CCNCc1ccco1
InChIInChI=1S/C15H15N3O2/c19-15-14-6-2-1-4-12(14)10-17-18(15)8-7-16-11-13-5-3-9-20-13/h1-6,9-10,16H,7-8,11H2
InChIKeyYJCCLKLJRAXGMR-UHFFFAOYSA-N
XLogP1.78
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.78
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 2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one?
The IUPAC name of 2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one (CID 62562619) is 2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one is O=c1c2ccccc2cnn1CCNCc1ccco1.
What is the InChIKey of 2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one?
The InChIKey is YJCCLKLJRAXGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15-14-6-2-1-4-12(14)10-17-18(15)8-7-16-11-13-5-3-9-20-13/h1-6,9-10,16H,7-8,11H2.
What are the key properties of 2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one?
2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one has a molecular weight of 269.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one is sourced from PubChem (CID 62562619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).