3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide

C11H17ClN4O2 — CID 47299139

IUPAC3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H17ClN4O2/c1-3-5-14-9(17)4-6-13-8-7-15-16(2)11(18)10(8)12/h7,13H,3-6H2,1-2H3,(H,14,17)
InChIKeyZCABCUJFELIIBR-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.76
Rot. Bonds6

About 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide

3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide (PubChem CID 47299139) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide
PubChem CID47299139
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H17ClN4O2/c1-3-5-14-9(17)4-6-13-8-7-15-16(2)11(18)10(8)12/h7,13H,3-6H2,1-2H3,(H,14,17)
InChIKeyZCABCUJFELIIBR-UHFFFAOYSA-N
XLogP0.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-{[3-(dimethylamino)propyl]amino}-3(2H)-pyridazinone
CID 546968
4-Chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one
CID 115579930
2-Tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one
CID 117094764
Cambridge id 5349316
CID 779347
4-(Aminomethyl)-5-(ethylamino)-2-methylpyridazin-3(2h)-one
CID 46848463
3-[[5-Chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-3-methylbutanamide
CID 106097188
3-[[5-Chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 106277739
4-Chloro-2-propyl-5-(2,2,2-trifluoroethylamino)pyridazin-3-one
CID 113584364
4-Chloro-2-propyl-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 113584721
4-Chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-Chloro-5-(propylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114431247
4-Chloro-5-[3-(dimethylamino)propylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114432572

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide (CID 47299139) is 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide?
The InChIKey is ZCABCUJFELIIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-3-5-14-9(17)4-6-13-8-7-15-16(2)11(18)10(8)12/h7,13H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide?
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide has a molecular weight of 272.74 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 47299139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).