2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid

C12H14N4O3 — CID 23342248

IUPAC2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid
SMILESCCN(CC)c1nc2cn[nH]c(=O)c2cc1C(=O)O
InChIInChI=1S/C12H14N4O3/c1-3-16(4-2)10-8(12(18)19)5-7-9(14-10)6-13-15-11(7)17/h5-6H,3-4H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyKDYYCOZPQFCZRD-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.86
Rot. Bonds4

About 2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid

2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid (PubChem CID 23342248) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid
PubChem CID23342248
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid
SMILESCCN(CC)c1nc2cn[nH]c(=O)c2cc1C(=O)O
InChIInChI=1S/C12H14N4O3/c1-3-16(4-2)10-8(12(18)19)5-7-9(14-10)6-13-15-11(7)17/h5-6H,3-4H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyKDYYCOZPQFCZRD-UHFFFAOYSA-N
XLogP0.86
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(diethylamino)pyridine-3-carboxylic acid
CID 59700072
2-[butyl(ethyl)amino]quinoline-3-carboxylic acid
CID 28952092
ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one
CID 145188289
5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid
CID 131538217
4-(diethylamino)-2-(4-ethylphenyl)pyrimidine-5-carboxylic acid
CID 82169267
8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 39732445
2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 135588789
ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
CID 154729406
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid
CID 82169269
1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone
CID 54348248
2-amino-6H-pyrimido[4,5-d]pyridazin-5-one
CID 175953367

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid?
The IUPAC name of 2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid (CID 23342248) is 2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid.
What is the SMILES notation for 2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid?
The canonical SMILES for 2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid is CCN(CC)c1nc2cn[nH]c(=O)c2cc1C(=O)O.
What is the InChIKey of 2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid?
The InChIKey is KDYYCOZPQFCZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-3-16(4-2)10-8(12(18)19)5-7-9(14-10)6-13-15-11(7)17/h5-6H,3-4H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid?
2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid is sourced from PubChem (CID 23342248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).