1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid

C15H20N4O3 — CID 70972609

IUPAC1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid
SMILESCCN1N=CCc2c1ncc(C(=O)O)c2NC1CCOCC1
InChIInChI=1S/C15H20N4O3/c1-2-19-14-11(3-6-17-19)13(12(9-16-14)15(20)21)18-10-4-7-22-8-5-10/h6,9-10H,2-5,7-8H2,1H3,(H,16,18)(H,20,21)
InChIKeyJONAJLFDWPEOHO-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.74
Rot. Bonds4

About 1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid

1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid (PubChem CID 70972609) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid
PubChem CID70972609
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid
SMILESCCN1N=CCc2c1ncc(C(=O)O)c2NC1CCOCC1
InChIInChI=1S/C15H20N4O3/c1-2-19-14-11(3-6-17-19)13(12(9-16-14)15(20)21)18-10-4-7-22-8-5-10/h6,9-10H,2-5,7-8H2,1H3,(H,16,18)(H,20,21)
InChIKeyJONAJLFDWPEOHO-UHFFFAOYSA-N
XLogP1.74
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid?
The IUPAC name of 1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid (CID 70972609) is 1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid?
The canonical SMILES for 1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid is CCN1N=CCc2c1ncc(C(=O)O)c2NC1CCOCC1.
What is the InChIKey of 1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid?
The InChIKey is JONAJLFDWPEOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-2-19-14-11(3-6-17-19)13(12(9-16-14)15(20)21)18-10-4-7-22-8-5-10/h6,9-10H,2-5,7-8H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid?
1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(oxan-4-ylamino)-4H-pyrido[2,3-c]pyridazine-6-carboxylic acid is sourced from PubChem (CID 70972609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).