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

C10H15N3O3 — CID 60635966

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H15N3O3/c1-3-12(4-2)10(16)7-13-9(15)6-5-8(14)11-13/h5-6H,3-4,7H2,1-2H3,(H,11,14)
InChIKeyOREVGPBJARFEJY-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.60
Rot. Bonds4

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-diethylacetamide (PubChem CID 60635966) 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,N-diethylacetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-diethylacetamide
PubChem CID60635966
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H15N3O3/c1-3-12(4-2)10(16)7-13-9(15)6-5-8(14)11-13/h5-6H,3-4,7H2,1-2H3,(H,11,14)
InChIKeyOREVGPBJARFEJY-UHFFFAOYSA-N
XLogP-0.60
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
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,N-diethylacetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-diethylacetamide (CID 60635966) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-diethylacetamide?
The InChIKey is OREVGPBJARFEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-12(4-2)10(16)7-13-9(15)6-5-8(14)11-13/h5-6H,3-4,7H2,1-2H3,(H,11,14).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-diethylacetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-diethylacetamide has a molecular weight of 225.25 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 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,N-diethylacetamide is sourced from PubChem (CID 60635966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).