N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C9H12ClN3O2 — CID 115636434

IUPACN-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESC=C(Cl)CNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C9H12ClN3O2/c1-6(10)5-11-9(15)7-3-4-8(14)13(2)12-7/h1,3-5H2,2H3,(H,11,15)
InChIKeyKNLICZQNBSZDTO-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.46
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 115636434) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID115636434
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC NameN-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESC=C(Cl)CNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C9H12ClN3O2/c1-6(10)5-11-9(15)7-3-4-8(14)13(2)12-7/h1,3-5H2,2H3,(H,11,15)
InChIKeyKNLICZQNBSZDTO-UHFFFAOYSA-N
XLogP0.46
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide 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 N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 115636434) is N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is C=C(Cl)CNC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is KNLICZQNBSZDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-6(10)5-11-9(15)7-3-4-8(14)13(2)12-7/h1,3-5H2,2H3,(H,11,15).
What are the key properties of N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 229.67 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 115636434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).