3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide

C9H13ClN4O2 — CID 80746212

IUPAC3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C9H13ClN4O2/c1-14(2)7(15)3-4-11-6-5-12-13-9(16)8(6)10/h5H,3-4H2,1-2H3,(H2,11,13,16)
InChIKeyMRYYVDOFRFLNDB-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.31
Rot. Bonds4

About 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide

3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 80746212) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID80746212
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C9H13ClN4O2/c1-14(2)7(15)3-4-11-6-5-12-13-9(16)8(6)10/h5H,3-4H2,1-2H3,(H2,11,13,16)
InChIKeyMRYYVDOFRFLNDB-UHFFFAOYSA-N
XLogP0.31
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide 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 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide (CID 80746212) is 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is MRYYVDOFRFLNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-14(2)7(15)3-4-11-6-5-12-13-9(16)8(6)10/h5H,3-4H2,1-2H3,(H2,11,13,16).
What are the key properties of 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide?
3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 244.68 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 80746212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).