4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid

C12H13N3O2 — CID 42878221

IUPAC4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid
SMILESCCN(C)c1nnc(C(=O)O)c2ccccc12
InChIInChI=1S/C12H13N3O2/c1-3-15(2)11-9-7-5-4-6-8(9)10(12(16)17)13-14-11/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeySVQAZIZVGKJCBZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.78
Rot. Bonds3

About 4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid

4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid (PubChem CID 42878221) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid
PubChem CID42878221
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid
SMILESCCN(C)c1nnc(C(=O)O)c2ccccc12
InChIInChI=1S/C12H13N3O2/c1-3-15(2)11-9-7-5-4-6-8(9)10(12(16)17)13-14-11/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeySVQAZIZVGKJCBZ-UHFFFAOYSA-N
XLogP1.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid?
The IUPAC name of 4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid (CID 42878221) is 4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid.
What is the SMILES notation for 4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid?
The canonical SMILES for 4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid is CCN(C)c1nnc(C(=O)O)c2ccccc12.
What is the InChIKey of 4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid?
The InChIKey is SVQAZIZVGKJCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-3-15(2)11-9-7-5-4-6-8(9)10(12(16)17)13-14-11/h4-7H,3H2,1-2H3,(H,16,17).
What are the key properties of 4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid?
4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid is sourced from PubChem (CID 42878221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).