N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide

C12H17N3O2 — CID 59825254

IUPACN,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESCN(C)C(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C12H17N3O2/c1-15(2)11(16)7-10-8-5-3-4-6-9(8)12(17)14-13-10/h3-7H2,1-2H3,(H,14,17)
InChIKeyHLFRQVOFZSKQOJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.28
Rot. Bonds2

About N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide

N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (PubChem CID 59825254) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
PubChem CID59825254
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESCN(C)C(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C12H17N3O2/c1-15(2)11(16)7-10-8-5-3-4-6-9(8)12(17)14-13-10/h3-7H2,1-2H3,(H,14,17)
InChIKeyHLFRQVOFZSKQOJ-UHFFFAOYSA-N
XLogP0.28
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (CID 59825254) is N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is CN(C)C(=O)Cc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The InChIKey is HLFRQVOFZSKQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(2)11(16)7-10-8-5-3-4-6-9(8)12(17)14-13-10/h3-7H2,1-2H3,(H,14,17).
What are the key properties of N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide has a molecular weight of 235.29 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 59825254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).