2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid

C14H15N3O3 — CID 166454633

IUPAC2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid
SMILESCCc1nn(CC(=O)O)c(=O)c2ccc(C3CC3)nc12
InChIInChI=1S/C14H15N3O3/c1-2-10-13-9(5-6-11(15-13)8-3-4-8)14(20)17(16-10)7-12(18)19/h5-6,8H,2-4,7H2,1H3,(H,18,19)
InChIKeyOOZKMLPIJWBWMX-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.32
Rot. Bonds4

About 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid

2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid (PubChem CID 166454633) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid
PubChem CID166454633
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid
SMILESCCc1nn(CC(=O)O)c(=O)c2ccc(C3CC3)nc12
InChIInChI=1S/C14H15N3O3/c1-2-10-13-9(5-6-11(15-13)8-3-4-8)14(20)17(16-10)7-12(18)19/h5-6,8H,2-4,7H2,1H3,(H,18,19)
InChIKeyOOZKMLPIJWBWMX-UHFFFAOYSA-N
XLogP1.32
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid?
The IUPAC name of 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid (CID 166454633) is 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid?
The canonical SMILES for 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid is CCc1nn(CC(=O)O)c(=O)c2ccc(C3CC3)nc12.
What is the InChIKey of 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid?
The InChIKey is OOZKMLPIJWBWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-10-13-9(5-6-11(15-13)8-3-4-8)14(20)17(16-10)7-12(18)19/h5-6,8H,2-4,7H2,1H3,(H,18,19).
What are the key properties of 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid?
2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)acetic acid is sourced from PubChem (CID 166454633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).