2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide

C10H15N3O3 — CID 60636934

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H15N3O3/c1-7(2)5-11-9(15)6-13-10(16)4-3-8(14)12-13/h3-4,7H,5-6H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyZRKCGHRUDKORBW-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.69
Rot. Bonds4

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide (PubChem CID 60636934) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide
PubChem CID60636934
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H15N3O3/c1-7(2)5-11-9(15)6-13-10(16)4-3-8(14)12-13/h3-4,7H,5-6H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyZRKCGHRUDKORBW-UHFFFAOYSA-N
XLogP-0.69
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide (CID 60636934) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is ZRKCGHRUDKORBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(2)5-11-9(15)6-13-10(16)4-3-8(14)12-13/h3-4,7H,5-6H2,1-2H3,(H,11,15)(H,12,14).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 225.25 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 60636934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).