N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane

C10H18N4O3 — CID 143571843

IUPACN'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane
SMILESCC.CC(=O)NNCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H12N4O3.C2H6/c1-6(13)10-9-4-5-12-8(15)3-2-7(14)11-12;1-2/h2-3,9H,4-5H2,1H3,(H,10,13)(H,11,14);1-2H3
InChIKeyNHRLHXRREUIGPO-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.80
Rot. Bonds4

About N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane

N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane (PubChem CID 143571843) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane.

Molecular Properties

Compound NameN'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane
PubChem CID143571843
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC NameN'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane
SMILESCC.CC(=O)NNCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H12N4O3.C2H6/c1-6(13)10-9-4-5-12-8(15)3-2-7(14)11-12;1-2/h2-3,9H,4-5H2,1H3,(H,10,13)(H,11,14);1-2H3
InChIKeyNHRLHXRREUIGPO-UHFFFAOYSA-N
XLogP-0.80
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
Bis(aminoethylamino) ethyl maleamide
CID 129826976
Einecs 253-082-7
CID 21278031
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
2-[2-(2,5-Dioxopyrrol-1-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 23557818
1-N,1-N',4-N,4-N'-tetramethylbut-2-enedihydrazide
CID 54202343
CID 58044780
CID 58044780
4-[4-(4-Hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide
CID 69094618
N-ethyl-N'-propylprop-2-enehydrazide
CID 87504090
(Z)-1-N,1-N',4-N,4-N'-tetramethylbut-2-enedihydrazide
CID 88620184
(E)-4-(2-acetylhydrazinyl)-N-(2-aminoethyl)-3-methyl-4-oxobut-2-enamide
CID 88873759

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane?
The IUPAC name of N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane (CID 143571843) is N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane.
What is the SMILES notation for N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane?
The canonical SMILES for N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane is CC.CC(=O)NNCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane?
The InChIKey is NHRLHXRREUIGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3.C2H6/c1-6(13)10-9-4-5-12-8(15)3-2-7(14)11-12;1-2/h2-3,9H,4-5H2,1H3,(H,10,13)(H,11,14);1-2H3.
What are the key properties of N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane?
N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane has a molecular weight of 242.28 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane is sourced from PubChem (CID 143571843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).