2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide

C13H19ClN4O2 — CID 103111551

IUPAC2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide
SMILESC=CCn1ncc(NC(C)C(=O)N(C)CC)c(Cl)c1=O
InChIInChI=1S/C13H19ClN4O2/c1-5-7-18-13(20)11(14)10(8-15-18)16-9(3)12(19)17(4)6-2/h5,8-9,16H,1,6-7H2,2-4H3
InChIKeyZLTRNTSRTGODOR-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.36
Rot. Bonds6

About 2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide

2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103111551) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103111551
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide
SMILESC=CCn1ncc(NC(C)C(=O)N(C)CC)c(Cl)c1=O
InChIInChI=1S/C13H19ClN4O2/c1-5-7-18-13(20)11(14)10(8-15-18)16-9(3)12(19)17(4)6-2/h5,8-9,16H,1,6-7H2,2-4H3
InChIKeyZLTRNTSRTGODOR-UHFFFAOYSA-N
XLogP1.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide (CID 103111551) is 2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide is C=CCn1ncc(NC(C)C(=O)N(C)CC)c(Cl)c1=O.
What is the InChIKey of 2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is ZLTRNTSRTGODOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-5-7-18-13(20)11(14)10(8-15-18)16-9(3)12(19)17(4)6-2/h5,8-9,16H,1,6-7H2,2-4H3.
What are the key properties of 2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide?
2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 298.77 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103111551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).