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

C15H23N3O3 — CID 80517737

IUPAC5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid
SMILESCCc1nnc(NCC2CCCCO2)c(C(=O)O)c1CC
InChIInChI=1S/C15H23N3O3/c1-3-11-12(4-2)17-18-14(13(11)15(19)20)16-9-10-7-5-6-8-21-10/h10H,3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyKIVBFHPKRMCVEO-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.28
Rot. Bonds6

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

5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid (PubChem CID 80517737) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid
PubChem CID80517737
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid
SMILESCCc1nnc(NCC2CCCCO2)c(C(=O)O)c1CC
InChIInChI=1S/C15H23N3O3/c1-3-11-12(4-2)17-18-14(13(11)15(19)20)16-9-10-7-5-6-8-21-10/h10H,3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyKIVBFHPKRMCVEO-UHFFFAOYSA-N
XLogP2.28
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-(oxolan-2-ylmethylamino)pyridazine-4-carbothioamide
CID 80512337
5-ethyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80902329
1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
CID 115574155
5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid
CID 80517882
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772495
5-(oxan-2-ylmethylamino)furan-2-carboxylic acid
CID 62206731
4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 80508145
3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid
CID 107061826
[5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine
CID 106495006
3-methylsulfanyl-6-(oxolan-2-ylmethylamino)pyridazine-4-carboxylic acid
CID 117102980
2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid
CID 114995613
4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 16641766

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid (CID 80517737) is 5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid is CCc1nnc(NCC2CCCCO2)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid?
The InChIKey is KIVBFHPKRMCVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-11-12(4-2)17-18-14(13(11)15(19)20)16-9-10-7-5-6-8-21-10/h10H,3-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid?
5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.28, 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-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).