4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide

C10H13N5O3 — CID 108887439

IUPAC4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C10H13N5O3/c16-7-14-3-5-15(6-4-14)10(18)11-8-1-2-9(17)13-12-8/h1-2,7H,3-6H2,(H,13,17)(H,11,12,18)
InChIKeyDHSZOZPHWPORGZ-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.92
Rot. Bonds2

About 4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide

4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 108887439) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
PubChem CID108887439
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C10H13N5O3/c16-7-14-3-5-15(6-4-14)10(18)11-8-1-2-9(17)13-12-8/h1-2,7H,3-6H2,(H,13,17)(H,11,12,18)
InChIKeyDHSZOZPHWPORGZ-UHFFFAOYSA-N
XLogP-0.92
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887313
4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
CID 108887317
1-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1,4-dicarboxamide
CID 108887466
4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887249
4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide
CID 23992135
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
(E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide
CID 116786515
4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
CID 67313518
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide (CID 108887439) is 4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide is O=CN1CCN(C(=O)Nc2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is DHSZOZPHWPORGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c16-7-14-3-5-15(6-4-14)10(18)11-8-1-2-9(17)13-12-8/h1-2,7H,3-6H2,(H,13,17)(H,11,12,18).
What are the key properties of 4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 251.25 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 108887439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).