5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid

C15H25N3O2 — CID 80517696

IUPAC5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid
SMILESCCCCCN(C)c1nnc(CC)c(CC)c1C(=O)O
InChIInChI=1S/C15H25N3O2/c1-5-8-9-10-18(4)14-13(15(19)20)11(6-2)12(7-3)16-17-14/h5-10H2,1-4H3,(H,19,20)
InChIKeyFYHKFVSCSYFAJS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.93
Rot. Bonds8

About 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid

5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid (PubChem CID 80517696) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid
PubChem CID80517696
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid
SMILESCCCCCN(C)c1nnc(CC)c(CC)c1C(=O)O
InChIInChI=1S/C15H25N3O2/c1-5-8-9-10-18(4)14-13(15(19)20)11(6-2)12(7-3)16-17-14/h5-10H2,1-4H3,(H,19,20)
InChIKeyFYHKFVSCSYFAJS-UHFFFAOYSA-N
XLogP2.93
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile
CID 80509404
5,6-diethyl-3-[ethyl(2-methylpropyl)amino]pyridazine-4-carboxylic acid
CID 80517726
3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid
CID 80515523
5,6-diethyl-3-(2-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid
CID 80518280
5,6-diethyl-3-(4-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboxylic acid
CID 80518180
6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid
CID 63380325
5,6-diethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid
CID 80517701
5,6-diethyl-3-(1H-imidazol-2-ylsulfanyl)pyridazine-4-carboxylic acid
CID 107782628
2-[methyl(pentyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62752432
2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62765441
5,6-diethyl-3-[ethyl(propyl)amino]pyridazine-4-carbothioamide
CID 80512225
3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
CID 71755942

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid (CID 80517696) is 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid is CCCCCN(C)c1nnc(CC)c(CC)c1C(=O)O.
What is the InChIKey of 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is FYHKFVSCSYFAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-8-9-10-18(4)14-13(15(19)20)11(6-2)12(7-3)16-17-14/h5-10H2,1-4H3,(H,19,20).
What are the key properties of 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid?
5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).