acetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid

C12H18N6O5 — CID 175205063

IUPACacetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid
SMILESCC(=O)NN.NNC1(N2C(=O)CCC2=O)C=CC(C(=O)O)=CN1
InChIInChI=1S/C10H12N4O4.C2H6N2O/c11-13-10(14-7(15)1-2-8(14)16)4-3-6(5-12-10)9(17)18;1-2(5)4-3/h3-5,12-13H,1-2,11H2,(H,17,18);3H2,1H3,(H,4,5)
InChIKeyZAQNIRYWFLRUQC-UHFFFAOYSA-N
MW326.31 g/mol
LogP-2.62
Rot. Bonds3

About acetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid

acetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid (PubChem CID 175205063) has the molecular formula C12H18N6O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is acetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameacetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid
PubChem CID175205063
Molecular FormulaC12H18N6O5
Molecular Weight326.31 g/mol
Exact Mass326.13
IUPAC Nameacetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid
SMILESCC(=O)NN.NNC1(N2C(=O)CCC2=O)C=CC(C(=O)O)=CN1
InChIInChI=1S/C10H12N4O4.C2H6N2O/c11-13-10(14-7(15)1-2-8(14)16)4-3-6(5-12-10)9(17)18;1-2(5)4-3/h3-5,12-13H,1-2,11H2,(H,17,18);3H2,1H3,(H,4,5)
InChIKeyZAQNIRYWFLRUQC-UHFFFAOYSA-N
XLogP-2.62
TPSA179.88 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.31
LogP ≤ 5-2.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid?
The IUPAC name of acetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid (CID 175205063) is acetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for acetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for acetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid is CC(=O)NN.NNC1(N2C(=O)CCC2=O)C=CC(C(=O)O)=CN1.
What is the InChIKey of acetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid?
The InChIKey is ZAQNIRYWFLRUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4.C2H6N2O/c11-13-10(14-7(15)1-2-8(14)16)4-3-6(5-12-10)9(17)18;1-2(5)4-3/h3-5,12-13H,1-2,11H2,(H,17,18);3H2,1H3,(H,4,5).
What are the key properties of acetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid?
acetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid has a molecular weight of 326.31 g/mol, XLogP of -2.62, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetohydrazide;6-(2,5-dioxopyrrolidin-1-yl)-6-hydrazinyl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 175205063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).