N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide

C11H16N4O2 — CID 59751919

IUPACN-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide
SMILESCCNC(=O)Cc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C11H16N4O2/c1-2-12-9(16)6-8-10-7(4-3-5-13-10)11(17)15-14-8/h13H,2-6H2,1H3,(H,12,16)(H,15,17)
InChIKeyKATHAQFBDMSPNI-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.19
Rot. Bonds3

About N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide

N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide (PubChem CID 59751919) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide
PubChem CID59751919
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide
SMILESCCNC(=O)Cc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C11H16N4O2/c1-2-12-9(16)6-8-10-7(4-3-5-13-10)11(17)15-14-8/h13H,2-6H2,1H3,(H,12,16)(H,15,17)
InChIKeyKATHAQFBDMSPNI-UHFFFAOYSA-N
XLogP-0.19
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide?
The IUPAC name of N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide (CID 59751919) is N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide?
The canonical SMILES for N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide is CCNC(=O)Cc1n[nH]c(=O)c2c1NCCC2.
What is the InChIKey of N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide?
The InChIKey is KATHAQFBDMSPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-12-9(16)6-8-10-7(4-3-5-13-10)11(17)15-14-8/h13H,2-6H2,1H3,(H,12,16)(H,15,17).
What are the key properties of N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide?
N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide has a molecular weight of 236.27 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide is sourced from PubChem (CID 59751919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).