5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid

C13H21N3O3 — CID 81074322

IUPAC5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid
SMILESCc1nnc(N(C)CCOC(C)C)c(C(=O)O)c1C
InChIInChI=1S/C13H21N3O3/c1-8(2)19-7-6-16(5)12-11(13(17)18)9(3)10(4)14-15-12/h8H,6-7H2,1-5H3,(H,17,18)
InChIKeyRUPGGNVXOWXELD-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.65
Rot. Bonds6

About 5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid

5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid (PubChem CID 81074322) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid
PubChem CID81074322
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid
SMILESCc1nnc(N(C)CCOC(C)C)c(C(=O)O)c1C
InChIInChI=1S/C13H21N3O3/c1-8(2)19-7-6-16(5)12-11(13(17)18)9(3)10(4)14-15-12/h8H,6-7H2,1-5H3,(H,17,18)
InChIKeyRUPGGNVXOWXELD-UHFFFAOYSA-N
XLogP1.65
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid (CID 81074322) is 5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid is Cc1nnc(N(C)CCOC(C)C)c(C(=O)O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is RUPGGNVXOWXELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)19-7-6-16(5)12-11(13(17)18)9(3)10(4)14-15-12/h8H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid?
5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 81074322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).