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

C13H20N4O2 — CID 55168742

IUPACN-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
SMILESCC(C)CNC(=O)Cn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C13H20N4O2/c1-9(2)6-15-12(18)8-17-13(19)5-10-7-14-4-3-11(10)16-17/h5,9,14H,3-4,6-8H2,1-2H3,(H,15,18)
InChIKeyCPZKHZCTVBZHSA-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.34
Rot. Bonds4

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

N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide (PubChem CID 55168742) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
PubChem CID55168742
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
SMILESCC(C)CNC(=O)Cn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C13H20N4O2/c1-9(2)6-15-12(18)8-17-13(19)5-10-7-14-4-3-11(10)16-17/h5,9,14H,3-4,6-8H2,1-2H3,(H,15,18)
InChIKeyCPZKHZCTVBZHSA-UHFFFAOYSA-N
XLogP-0.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide (CID 55168742) is N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide is CC(C)CNC(=O)Cn1nc2c(cc1=O)CNCC2.
What is the InChIKey of N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The InChIKey is CPZKHZCTVBZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)6-15-12(18)8-17-13(19)5-10-7-14-4-3-11(10)16-17/h5,9,14H,3-4,6-8H2,1-2H3,(H,15,18).
What are the key properties of N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide has a molecular weight of 264.33 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 55168742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).