N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C12H13N3O2 — CID 655510

IUPACN-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCNC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C12H13N3O2/c1-8-9-5-3-4-6-10(9)12(17)15(14-8)7-11(16)13-2/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyDVSTXZJFAIQFFI-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.45
Rot. Bonds2

About N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 655510) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID655510
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCNC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C12H13N3O2/c1-8-9-5-3-4-6-10(9)12(17)15(14-8)7-11(16)13-2/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyDVSTXZJFAIQFFI-UHFFFAOYSA-N
XLogP0.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 655510) is N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is CNC(=O)Cn1nc(C)c2ccccc2c1=O.
What is the InChIKey of N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is DVSTXZJFAIQFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-9-5-3-4-6-10(9)12(17)15(14-8)7-11(16)13-2/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 231.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 655510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).