2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one

C17H17N3O — CID 16784504

IUPAC2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one
SMILESCc1ccccc1C(N)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C17H17N3O/c1-12-6-2-4-8-14(12)16(18)11-20-17(21)15-9-5-3-7-13(15)10-19-20/h2-10,16H,11,18H2,1H3
InChIKeyUUNHVKZCMQMJQZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.40
Rot. Bonds3

About 2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one

2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one (PubChem CID 16784504) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one
PubChem CID16784504
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one
SMILESCc1ccccc1C(N)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C17H17N3O/c1-12-6-2-4-8-14(12)16(18)11-20-17(21)15-9-5-3-7-13(15)10-19-20/h2-10,16H,11,18H2,1H3
InChIKeyUUNHVKZCMQMJQZ-UHFFFAOYSA-N
XLogP2.40
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one?
The IUPAC name of 2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one (CID 16784504) is 2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one is Cc1ccccc1C(N)Cn1ncc2ccccc2c1=O.
What is the InChIKey of 2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one?
The InChIKey is UUNHVKZCMQMJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-6-2-4-8-14(12)16(18)11-20-17(21)15-9-5-3-7-13(15)10-19-20/h2-10,16H,11,18H2,1H3.
What are the key properties of 2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one?
2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one has a molecular weight of 279.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one is sourced from PubChem (CID 16784504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).