5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide

C9H11N5O3 — CID 107437746

IUPAC5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide
SMILESO=C1CNC(C(=O)Nc2ccc(=O)[nH]n2)CN1
InChIInChI=1S/C9H11N5O3/c15-7-2-1-6(13-14-7)12-9(17)5-3-11-8(16)4-10-5/h1-2,5,10H,3-4H2,(H,11,16)(H,14,15)(H,12,13,17)
InChIKeyZCGNCZQBMSERHT-UHFFFAOYSA-N
MW237.22 g/mol
LogP-2.20
Rot. Bonds2

About 5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide

5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide (PubChem CID 107437746) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide
PubChem CID107437746
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide
SMILESO=C1CNC(C(=O)Nc2ccc(=O)[nH]n2)CN1
InChIInChI=1S/C9H11N5O3/c15-7-2-1-6(13-14-7)12-9(17)5-3-11-8(16)4-10-5/h1-2,5,10H,3-4H2,(H,11,16)(H,14,15)(H,12,13,17)
InChIKeyZCGNCZQBMSERHT-UHFFFAOYSA-N
XLogP-2.20
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107436577
N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107434741
N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide
CID 107437364
5-oxo-N-(1,3-thiazol-2-yl)piperazine-2-carboxamide
CID 107433315
N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107433364
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-(4-methyl-1H-pyrazol-5-yl)-5-oxopiperazine-2-carboxamide
CID 107437536
N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
CID 107433398
4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide
CID 104963823
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide
CID 107641827
5-oxo-N-(thiadiazol-5-yl)piperazine-2-carboxamide
CID 107437804

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide?
The IUPAC name of 5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide (CID 107437746) is 5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide is O=C1CNC(C(=O)Nc2ccc(=O)[nH]n2)CN1.
What is the InChIKey of 5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide?
The InChIKey is ZCGNCZQBMSERHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c15-7-2-1-6(13-14-7)12-9(17)5-3-11-8(16)4-10-5/h1-2,5,10H,3-4H2,(H,11,16)(H,14,15)(H,12,13,17).
What are the key properties of 5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide?
5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide has a molecular weight of 237.22 g/mol, XLogP of -2.20, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide is sourced from PubChem (CID 107437746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).