5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid

C15H25N3O2 — CID 80517726

IUPAC5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid
SMILESCCc1nnc(N(CC)CC(C)C)c(C(=O)O)c1CC
InChIInChI=1S/C15H25N3O2/c1-6-11-12(7-2)16-17-14(13(11)15(19)20)18(8-3)9-10(4)5/h10H,6-9H2,1-5H3,(H,19,20)
InChIKeyGTSVYQBUBTYWAS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.78
Rot. Bonds7

About 5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid

5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid (PubChem CID 80517726) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid
PubChem CID80517726
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid
SMILESCCc1nnc(N(CC)CC(C)C)c(C(=O)O)c1CC
InChIInChI=1S/C15H25N3O2/c1-6-11-12(7-2)16-17-14(13(11)15(19)20)18(8-3)9-10(4)5/h10H,6-9H2,1-5H3,(H,19,20)
InChIKeyGTSVYQBUBTYWAS-UHFFFAOYSA-N
XLogP2.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid (CID 80517726) is 5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid is CCc1nnc(N(CC)CC(C)C)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is GTSVYQBUBTYWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-6-11-12(7-2)16-17-14(13(11)15(19)20)18(8-3)9-10(4)5/h10H,6-9H2,1-5H3,(H,19,20).
What are the key properties of 5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid?
5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).