1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide

C12H17N5O4 — CID 63573551

IUPAC1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1
InChIInChI=1S/C12H17N5O4/c13-14-12(21)8-3-5-16(6-4-8)11(20)7-17-10(19)2-1-9(18)15-17/h1-2,8H,3-7,13H2,(H,14,21)(H,15,18)
InChIKeyOWFQZHRQTZANPU-UHFFFAOYSA-N
MW295.30 g/mol
LogP-2.23
Rot. Bonds3

About 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide

1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide (PubChem CID 63573551) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide
PubChem CID63573551
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Name1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1
InChIInChI=1S/C12H17N5O4/c13-14-12(21)8-3-5-16(6-4-8)11(20)7-17-10(19)2-1-9(18)15-17/h1-2,8H,3-7,13H2,(H,14,21)(H,15,18)
InChIKeyOWFQZHRQTZANPU-UHFFFAOYSA-N
XLogP-2.23
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]acetamide
CID 56702846
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid
CID 43354127
methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylate
CID 43404797
2-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 45819178
N-[[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide
CID 53500255
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 53507063
2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 56720919
1-[2-[Bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63571967
1-[2-(2-Oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
CID 63572420
1-[2-(2-Methyl-6-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
CID 63577083
1-[2-(6-Oxopyridazin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63577289
1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
CID 63577537

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide (CID 63573551) is 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1.
What is the InChIKey of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide?
The InChIKey is OWFQZHRQTZANPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c13-14-12(21)8-3-5-16(6-4-8)11(20)7-17-10(19)2-1-9(18)15-17/h1-2,8H,3-7,13H2,(H,14,21)(H,15,18).
What are the key properties of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide?
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide has a molecular weight of 295.30 g/mol, XLogP of -2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63573551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).