2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide

C10H12N4O2 — CID 116787071

IUPAC2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
SMILESCCCC(C#N)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H12N4O2/c1-2-3-7(6-11)10(16)12-8-4-5-9(15)14-13-8/h4-5,7H,2-3H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyNKWPNGGPSWGCAA-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.65
Rot. Bonds4

About 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide

2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide (PubChem CID 116787071) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide.

Molecular Properties

Compound Name2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
PubChem CID116787071
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
SMILESCCCC(C#N)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H12N4O2/c1-2-3-7(6-11)10(16)12-8-4-5-9(15)14-13-8/h4-5,7H,2-3H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyNKWPNGGPSWGCAA-UHFFFAOYSA-N
XLogP0.65
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide?
The IUPAC name of 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide (CID 116787071) is 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide.
What is the SMILES notation for 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide?
The canonical SMILES for 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide is CCCC(C#N)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide?
The InChIKey is NKWPNGGPSWGCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-2-3-7(6-11)10(16)12-8-4-5-9(15)14-13-8/h4-5,7H,2-3H2,1H3,(H,14,15)(H,12,13,16).
What are the key properties of 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide?
2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide has a molecular weight of 220.23 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide is sourced from PubChem (CID 116787071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).