5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid

C16H18N2O3 — CID 80517770

IUPAC5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid
SMILESCCc1nnc(OCc2ccccc2)c(C(=O)O)c1CC
InChIInChI=1S/C16H18N2O3/c1-3-12-13(4-2)17-18-15(14(12)16(19)20)21-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,19,20)
InChIKeyYVXBTWOKDBXHNY-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.88
Rot. Bonds6

About 5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid

5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid (PubChem CID 80517770) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid
PubChem CID80517770
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid
SMILESCCc1nnc(OCc2ccccc2)c(C(=O)O)c1CC
InChIInChI=1S/C16H18N2O3/c1-3-12-13(4-2)17-18-15(14(12)16(19)20)21-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,19,20)
InChIKeyYVXBTWOKDBXHNY-UHFFFAOYSA-N
XLogP2.88
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid
CID 80517098
5,6-diethyl-3-(3-hydroxypropoxy)pyridazine-4-carboxylic acid
CID 80517318
6-chloro-5-ethyl-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid
CID 159161134
5,6-diethyl-3-(4-iodophenoxy)pyridazine-4-carboxylic acid
CID 80515525
5,6-diethyl-3-(3-iodophenoxy)pyridazine-4-carboxylic acid
CID 80515807
5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid
CID 80517882
2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid
CID 141171152
CID 6334341
CID 6334341
3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid
CID 81333423
4-chloro-5-ethyl-6-phenylmethoxypyrimidine
CID 55230236
5-bromo-3-phenylmethoxy-1-propan-2-ylpyrazole-4-carboxylic acid;(5-bromo-3-phenylmethoxy-1-propan-2-ylpyrazol-4-yl)methanol
CID 162084883
3-chloro-2-ethyl-4-phenylmethoxybenzoic acid
CID 67182822

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid (CID 80517770) is 5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid is CCc1nnc(OCc2ccccc2)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid?
The InChIKey is YVXBTWOKDBXHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-12-13(4-2)17-18-15(14(12)16(19)20)21-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,19,20).
What are the key properties of 5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid?
5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid is sourced from PubChem (CID 80517770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).