N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide

C11H15N3O2 — CID 59825266

IUPACN-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide
SMILESCC(=O)NCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C11H15N3O2/c1-7(15)12-6-10-8-4-2-3-5-9(8)11(16)14-13-10/h2-6H2,1H3,(H,12,15)(H,14,16)
InChIKeyAQWIJZZEAFKBNT-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.28
Rot. Bonds2

About N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide

N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide (PubChem CID 59825266) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide
PubChem CID59825266
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide
SMILESCC(=O)NCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C11H15N3O2/c1-7(15)12-6-10-8-4-2-3-5-9(8)11(16)14-13-10/h2-6H2,1H3,(H,12,15)(H,14,16)
InChIKeyAQWIJZZEAFKBNT-UHFFFAOYSA-N
XLogP0.28
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide?
The IUPAC name of N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide (CID 59825266) is N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide?
The canonical SMILES for N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide is CC(=O)NCc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide?
The InChIKey is AQWIJZZEAFKBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(15)12-6-10-8-4-2-3-5-9(8)11(16)14-13-10/h2-6H2,1H3,(H,12,15)(H,14,16).
What are the key properties of N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide?
N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide has a molecular weight of 221.26 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide is sourced from PubChem (CID 59825266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).