5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid

C14H19N5O2 — CID 80517516

IUPAC5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid
SMILESCCc1nnc(NCc2cnn(C)c2)c(C(=O)O)c1CC
InChIInChI=1S/C14H19N5O2/c1-4-10-11(5-2)17-18-13(12(10)14(20)21)15-6-9-7-16-19(3)8-9/h7-8H,4-6H2,1-3H3,(H,15,18)(H,20,21)
InChIKeyUHQLKNDYKQKOHK-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.65
Rot. Bonds6

About 5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid

5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid (PubChem CID 80517516) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid
PubChem CID80517516
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid
SMILESCCc1nnc(NCc2cnn(C)c2)c(C(=O)O)c1CC
InChIInChI=1S/C14H19N5O2/c1-4-10-11(5-2)17-18-13(12(10)14(20)21)15-6-9-7-16-19(3)8-9/h7-8H,4-6H2,1-3H3,(H,15,18)(H,20,21)
InChIKeyUHQLKNDYKQKOHK-UHFFFAOYSA-N
XLogP1.65
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 47369409
2-fluoro-6-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 79522275
5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid
CID 80517882
1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid
CID 106766904
2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 78969503
5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517737
2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82820912
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
2,2,3-trimethyl-3-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 65265166
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624593
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
2-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 19624669

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid (CID 80517516) is 5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid is CCc1nnc(NCc2cnn(C)c2)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid?
The InChIKey is UHQLKNDYKQKOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-10-11(5-2)17-18-13(12(10)14(20)21)15-6-9-7-16-19(3)8-9/h7-8H,4-6H2,1-3H3,(H,15,18)(H,20,21).
What are the key properties of 5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid?
5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid has a molecular weight of 289.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).