2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide

C9H13ClN4O2 — CID 114433471

IUPAC2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide
SMILESCCn1ncc(NC(C)C(N)=O)c(Cl)c1=O
InChIInChI=1S/C9H13ClN4O2/c1-3-14-9(16)7(10)6(4-12-14)13-5(2)8(11)15/h4-5,13H,3H2,1-2H3,(H2,11,15)
InChIKeyNDHWNACJJHQKEF-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.20
Rot. Bonds4

About 2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide

2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide (PubChem CID 114433471) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide
PubChem CID114433471
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide
SMILESCCn1ncc(NC(C)C(N)=O)c(Cl)c1=O
InChIInChI=1S/C9H13ClN4O2/c1-3-14-9(16)7(10)6(4-12-14)13-5(2)8(11)15/h4-5,13H,3H2,1-2H3,(H2,11,15)
InChIKeyNDHWNACJJHQKEF-UHFFFAOYSA-N
XLogP0.20
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one
CID 114433216
methyl 2-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]propanoate
CID 114433249
3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide
CID 114167431
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 114441510
2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114435408
4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one
CID 114437060
4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one
CID 114434311
4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
CID 114432236
4-chloro-2-ethyl-5-(hex-1-yn-3-ylamino)pyridazin-3-one
CID 114161493
4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 114434721
methyl 2-[5-chloro-4-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-6-oxopyridazin-1-yl]acetate
CID 114435611
2-[2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]ethoxy]acetamide
CID 106239358

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide?
The IUPAC name of 2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide (CID 114433471) is 2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide is CCn1ncc(NC(C)C(N)=O)c(Cl)c1=O.
What is the InChIKey of 2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide?
The InChIKey is NDHWNACJJHQKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-3-14-9(16)7(10)6(4-12-14)13-5(2)8(11)15/h4-5,13H,3H2,1-2H3,(H2,11,15).
What are the key properties of 2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide?
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide has a molecular weight of 244.68 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide is sourced from PubChem (CID 114433471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).