3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid

C15H26N4O2 — CID 80517506

IUPAC3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid
SMILESCCc1nnc(NCCN(CC)CC)c(C(=O)O)c1CC
InChIInChI=1S/C15H26N4O2/c1-5-11-12(6-2)17-18-14(13(11)15(20)21)16-9-10-19(7-3)8-4/h5-10H2,1-4H3,(H,16,18)(H,20,21)
InChIKeyXNURDGNNQWLXOD-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.05
Rot. Bonds9

About 3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid

3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid (PubChem CID 80517506) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid
PubChem CID80517506
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid
SMILESCCc1nnc(NCCN(CC)CC)c(C(=O)O)c1CC
InChIInChI=1S/C15H26N4O2/c1-5-11-12(6-2)17-18-14(13(11)15(20)21)16-9-10-19(7-3)8-4/h5-10H2,1-4H3,(H,16,18)(H,20,21)
InChIKeyXNURDGNNQWLXOD-UHFFFAOYSA-N
XLogP2.05
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid (CID 80517506) is 3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid is CCc1nnc(NCCN(CC)CC)c(C(=O)O)c1CC.
What is the InChIKey of 3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid?
The InChIKey is XNURDGNNQWLXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-11-12(6-2)17-18-14(13(11)15(20)21)16-9-10-19(7-3)8-4/h5-10H2,1-4H3,(H,16,18)(H,20,21).
What are the key properties of 3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid?
3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 80517506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).