2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one

C16H21N3O2 — CID 104747156

IUPAC2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one
SMILESCCNC(Cn1ncc2ccccc2c1=O)C1CCOC1
InChIInChI=1S/C16H21N3O2/c1-2-17-15(13-7-8-21-11-13)10-19-16(20)14-6-4-3-5-12(14)9-18-19/h3-6,9,13,15,17H,2,7-8,10-11H2,1H3
InChIKeyRDFLJTCKGNXROR-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.41
Rot. Bonds5

About 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one

2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one (PubChem CID 104747156) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one
PubChem CID104747156
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one
SMILESCCNC(Cn1ncc2ccccc2c1=O)C1CCOC1
InChIInChI=1S/C16H21N3O2/c1-2-17-15(13-7-8-21-11-13)10-19-16(20)14-6-4-3-5-12(14)9-18-19/h3-6,9,13,15,17H,2,7-8,10-11H2,1H3
InChIKeyRDFLJTCKGNXROR-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one?
The IUPAC name of 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one (CID 104747156) is 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one is CCNC(Cn1ncc2ccccc2c1=O)C1CCOC1.
What is the InChIKey of 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one?
The InChIKey is RDFLJTCKGNXROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-17-15(13-7-8-21-11-13)10-19-16(20)14-6-4-3-5-12(14)9-18-19/h3-6,9,13,15,17H,2,7-8,10-11H2,1H3.
What are the key properties of 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one?
2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one has a molecular weight of 287.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one is sourced from PubChem (CID 104747156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).