6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid

C11H16N4O3 — CID 54985072

IUPAC6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
SMILESCCCN(CC(=O)NC)c1ccc(C(=O)O)nn1
InChIInChI=1S/C11H16N4O3/c1-3-6-15(7-10(16)12-2)9-5-4-8(11(17)18)13-14-9/h4-5H,3,6-7H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyNYTUGLLWDHNIRT-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.14
Rot. Bonds6

About 6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid

6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid (PubChem CID 54985072) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
PubChem CID54985072
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
SMILESCCCN(CC(=O)NC)c1ccc(C(=O)O)nn1
InChIInChI=1S/C11H16N4O3/c1-3-6-15(7-10(16)12-2)9-5-4-8(11(17)18)13-14-9/h4-5H,3,6-7H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyNYTUGLLWDHNIRT-UHFFFAOYSA-N
XLogP0.14
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
CID 54990351
2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54984974
6-(dipropylamino)-N-propylpyridazine-3-carboxamide
CID 109109285
6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid
CID 82956314
6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid
CID 102994003
2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 54948629
N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126163
6-(dibenzylamino)pyridazine-3-carboxylic acid
CID 127018558
6-(dimethylamino)pyridazine-3-carboxylic acid;hydrochloride
CID 91623623
2-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696904
6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid
CID 61442957
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119564

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid (CID 54985072) is 6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid is CCCN(CC(=O)NC)c1ccc(C(=O)O)nn1.
What is the InChIKey of 6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid?
The InChIKey is NYTUGLLWDHNIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-6-15(7-10(16)12-2)9-5-4-8(11(17)18)13-14-9/h4-5H,3,6-7H2,1-2H3,(H,12,16)(H,17,18).
What are the key properties of 6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid?
6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 54985072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).