2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one

C15H15N3O2 — CID 16791906

IUPAC2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one
SMILESCc1ccc(C(N)Cn2ncc3ccccc3c2=O)o1
InChIInChI=1S/C15H15N3O2/c1-10-6-7-14(20-10)13(16)9-18-15(19)12-5-3-2-4-11(12)8-17-18/h2-8,13H,9,16H2,1H3
InChIKeyIFSRAWDOYPJWLN-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.00
Rot. Bonds3

About 2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one

2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one (PubChem CID 16791906) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one
PubChem CID16791906
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one
SMILESCc1ccc(C(N)Cn2ncc3ccccc3c2=O)o1
InChIInChI=1S/C15H15N3O2/c1-10-6-7-14(20-10)13(16)9-18-15(19)12-5-3-2-4-11(12)8-17-18/h2-8,13H,9,16H2,1H3
InChIKeyIFSRAWDOYPJWLN-UHFFFAOYSA-N
XLogP2.00
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one?
The IUPAC name of 2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one (CID 16791906) is 2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one is Cc1ccc(C(N)Cn2ncc3ccccc3c2=O)o1.
What is the InChIKey of 2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one?
The InChIKey is IFSRAWDOYPJWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-6-7-14(20-10)13(16)9-18-15(19)12-5-3-2-4-11(12)8-17-18/h2-8,13H,9,16H2,1H3.
What are the key properties of 2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one?
2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one has a molecular weight of 269.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(5-methylfuran-2-yl)ethyl]phthalazin-1-one is sourced from PubChem (CID 16791906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).