(E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide

C8H9N3O2 — CID 116786515

IUPAC(E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H9N3O2/c1-2-3-7(12)9-6-4-5-8(13)11-10-6/h2-5H,1H3,(H,11,13)(H,9,10,12)/b3-2+
InChIKeyNXGQQUWXBHISRC-NSCUHMNNSA-N
MW179.18 g/mol
LogP0.28
Rot. Bonds2

About (E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide

(E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide (PubChem CID 116786515) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is (E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide
PubChem CID116786515
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name(E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H9N3O2/c1-2-3-7(12)9-6-4-5-8(13)11-10-6/h2-5H,1H3,(H,11,13)(H,9,10,12)/b3-2+
InChIKeyNXGQQUWXBHISRC-NSCUHMNNSA-N
XLogP0.28
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(but-2-enoylamino)-1H-pyrazole-5-carboxylic acid
CID 77043005
1-tert-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887248
2,2-dimethyl-3-oxo-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoic acid
CID 116787450
6-(but-2-enoylamino)pyridine-3-carboxylic acid
CID 78969127
1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea
CID 108887387
2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
CID 104893300
4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116786641
(E)-3-[4-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 116787743
1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887379
N-(1H-1,2,4-triazol-5-yl)but-2-enamide
CID 76981365
3-fluoro-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
CID 105387664
1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887535

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide?
The IUPAC name of (E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide (CID 116786515) is (E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide?
The canonical SMILES for (E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide is C/C=C/C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of (E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide?
The InChIKey is NXGQQUWXBHISRC-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-2-3-7(12)9-6-4-5-8(13)11-10-6/h2-5H,1H3,(H,11,13)(H,9,10,12)/b3-2+.
What are the key properties of (E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide?
(E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide has a molecular weight of 179.18 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide is sourced from PubChem (CID 116786515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).