N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide

C12H16N4O2 — CID 63253426

IUPACN-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CNCC2)NC1CC1
InChIInChI=1S/C12H16N4O2/c17-11(14-9-1-2-9)7-16-12(18)5-8-6-13-4-3-10(8)15-16/h5,9,13H,1-4,6-7H2,(H,14,17)
InChIKeyXSIZVAFDFKZFGZ-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.83
Rot. Bonds3

About N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide

N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide (PubChem CID 63253426) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
PubChem CID63253426
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CNCC2)NC1CC1
InChIInChI=1S/C12H16N4O2/c17-11(14-9-1-2-9)7-16-12(18)5-8-6-13-4-3-10(8)15-16/h5,9,13H,1-4,6-7H2,(H,14,17)
InChIKeyXSIZVAFDFKZFGZ-UHFFFAOYSA-N
XLogP-0.83
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide (CID 63253426) is N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide is O=C(Cn1nc2c(cc1=O)CNCC2)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The InChIKey is XSIZVAFDFKZFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-11(14-9-1-2-9)7-16-12(18)5-8-6-13-4-3-10(8)15-16/h5,9,13H,1-4,6-7H2,(H,14,17).
What are the key properties of N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide has a molecular weight of 248.29 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 63253426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).