5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid

C14H17N3O3 — CID 80516258

IUPAC5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid
SMILESCCc1nnc(NCc2ccco2)c(C(=O)O)c1CC
InChIInChI=1S/C14H17N3O3/c1-3-10-11(4-2)16-17-13(12(10)14(18)19)15-8-9-6-5-7-20-9/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyHYXKKUCOYLZCDZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.50
Rot. Bonds6

About 5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid

5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid (PubChem CID 80516258) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid
PubChem CID80516258
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid
SMILESCCc1nnc(NCc2ccco2)c(C(=O)O)c1CC
InChIInChI=1S/C14H17N3O3/c1-3-10-11(4-2)16-17-13(12(10)14(18)19)15-8-9-6-5-7-20-9/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyHYXKKUCOYLZCDZ-UHFFFAOYSA-N
XLogP2.50
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid
CID 80517098
5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 82475430
5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
CID 42642642
2,3-diethyl-N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2302300
6-(ethylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62172875
4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid
CID 104842494
5,6-diethyl-3-(3-hydroxypropoxy)pyridazine-4-carboxylic acid
CID 80517318
2-(ethylamino)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62831893
N-(furan-2-ylmethyl)acetamide
CID 2394850
4-tert-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxylic acid
CID 91915936
4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid
CID 53237483
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid (CID 80516258) is 5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid is CCc1nnc(NCc2ccco2)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid?
The InChIKey is HYXKKUCOYLZCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-10-11(4-2)16-17-13(12(10)14(18)19)15-8-9-6-5-7-20-9/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid?
5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).