N'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide

C8H9ClN4O4 — CID 3395519

IUPACN'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide
SMILESO=C(CCl)NNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H9ClN4O4/c9-3-6(15)10-11-7(16)4-13-8(17)2-1-5(14)12-13/h1-2H,3-4H2,(H,10,15)(H,11,16)(H,12,14)
InChIKeyGKGSPFIOKWGNJX-UHFFFAOYSA-N
MW260.64 g/mol
LogP-2.08
Rot. Bonds3

About N'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide

N'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide (PubChem CID 3395519) has the molecular formula C8H9ClN4O4 and a molecular weight of 260.64 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide
PubChem CID3395519
Molecular FormulaC8H9ClN4O4
Molecular Weight260.64 g/mol
Exact Mass260.03
IUPAC NameN'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide
SMILESO=C(CCl)NNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H9ClN4O4/c9-3-6(15)10-11-7(16)4-13-8(17)2-1-5(14)12-13/h1-2H,3-4H2,(H,10,15)(H,11,16)(H,12,14)
InChIKeyGKGSPFIOKWGNJX-UHFFFAOYSA-N
XLogP-2.08
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.64
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide (CID 3395519) is N'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide is O=C(CCl)NNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of N'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide?
The InChIKey is GKGSPFIOKWGNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O4/c9-3-6(15)10-11-7(16)4-13-8(17)2-1-5(14)12-13/h1-2H,3-4H2,(H,10,15)(H,11,16)(H,12,14).
What are the key properties of N'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide?
N'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide has a molecular weight of 260.64 g/mol, XLogP of -2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide is sourced from PubChem (CID 3395519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).