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

C13H20N4O2 — CID 103217982

IUPACN-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide
SMILESCC(C)CNC(=O)Cn1nc2c(cc1=O)NCCC2
InChIInChI=1S/C13H20N4O2/c1-9(2)7-15-12(18)8-17-13(19)6-11-10(16-17)4-3-5-14-11/h6,9,14H,3-5,7-8H2,1-2H3,(H,15,18)
InChIKeyVUONCLPUAAARFB-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.37
Rot. Bonds4

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

N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide (PubChem CID 103217982) 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[3,2-c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide
PubChem CID103217982
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide
SMILESCC(C)CNC(=O)Cn1nc2c(cc1=O)NCCC2
InChIInChI=1S/C13H20N4O2/c1-9(2)7-15-12(18)8-17-13(19)6-11-10(16-17)4-3-5-14-11/h6,9,14H,3-5,7-8H2,1-2H3,(H,15,18)
InChIKeyVUONCLPUAAARFB-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide (CID 103217982) is N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide is CC(C)CNC(=O)Cn1nc2c(cc1=O)NCCC2.
What is the InChIKey of N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide?
The InChIKey is VUONCLPUAAARFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)7-15-12(18)8-17-13(19)6-11-10(16-17)4-3-5-14-11/h6,9,14H,3-5,7-8H2,1-2H3,(H,15,18).
What are the key properties of N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide?
N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide has a molecular weight of 264.33 g/mol, XLogP of 0.37, 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[3,2-c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 103217982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).