3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid

C12H13N3O3 — CID 80516869

IUPAC3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid
SMILESCCN(Cc1ccco1)c1nnccc1C(=O)O
InChIInChI=1S/C12H13N3O3/c1-2-15(8-9-4-3-7-18-9)11-10(12(16)17)5-6-13-14-11/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyXZIMQRHIUWXPAH-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.79
Rot. Bonds5

About 3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid

3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid (PubChem CID 80516869) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid
PubChem CID80516869
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid
SMILESCCN(Cc1ccco1)c1nnccc1C(=O)O
InChIInChI=1S/C12H13N3O3/c1-2-15(8-9-4-3-7-18-9)11-10(12(16)17)5-6-13-14-11/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyXZIMQRHIUWXPAH-UHFFFAOYSA-N
XLogP1.79
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114090156
5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid
CID 62206025
6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66456851
6-[ethyl(furan-2-ylmethyl)amino]-5-nitropyridine-3-carboxylic acid
CID 81442388
5-[ethyl(furan-2-ylmethyl)amino]-2-nitrobenzoic acid
CID 61421164
3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide
CID 113269575
3-amino-4-[ethyl(furan-2-ylmethyl)amino]benzoic acid
CID 61421271
3-[methyl(propyl)amino]pyridazine-4-carboxylic acid
CID 80517652
3-(N-ethyl-2-fluoroanilino)pyridazine-4-carboxylic acid
CID 80516767
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001296
[4-[ethyl(furan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61423124
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61423513

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid (CID 80516869) is 3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid is CCN(Cc1ccco1)c1nnccc1C(=O)O.
What is the InChIKey of 3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is XZIMQRHIUWXPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-15(8-9-4-3-7-18-9)11-10(12(16)17)5-6-13-14-11/h3-7H,2,8H2,1H3,(H,16,17).
What are the key properties of 3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid?
3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).