4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one

C11H14ClN5O2 — CID 106403998

IUPAC4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(NCCc2ncno2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN5O2/c1-7(2)17-11(18)10(12)8(5-15-17)13-4-3-9-14-6-16-19-9/h5-7,13H,3-4H2,1-2H3
InChIKeyOFHOYYBFNCWYMI-UHFFFAOYSA-N
MW283.72 g/mol
LogP1.52
Rot. Bonds5

About 4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one

4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one (PubChem CID 106403998) has the molecular formula C11H14ClN5O2 and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
PubChem CID106403998
Molecular FormulaC11H14ClN5O2
Molecular Weight283.72 g/mol
Exact Mass283.08
IUPAC Name4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(NCCc2ncno2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN5O2/c1-7(2)17-11(18)10(12)8(5-15-17)13-4-3-9-14-6-16-19-9/h5-7,13H,3-4H2,1-2H3
InChIKeyOFHOYYBFNCWYMI-UHFFFAOYSA-N
XLogP1.52
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[5-chloro-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxopyridazin-1-yl]acetate
CID 106403887
5-(butylamino)-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114432150
4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one
CID 114431553
4-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114434377
5-[(1-amino-4-methylpentan-2-yl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114445270
2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide
CID 106338125
5-[[(E)-4-aminobut-2-enyl]amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114447233
5-[(2-amino-2-ethylbutyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114446774
4-chloro-2-propan-2-yl-5-(2-prop-2-enoxyethylamino)pyridazin-3-one
CID 114264802
4-chloro-5-[(5-methylfuran-2-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114437125
4-bromo-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 106418790
5-[(4-bromophenyl)methylamino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114432680

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one (CID 106403998) is 4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one is CC(C)n1ncc(NCCc2ncno2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one?
The InChIKey is OFHOYYBFNCWYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2/c1-7(2)17-11(18)10(12)8(5-15-17)13-4-3-9-14-6-16-19-9/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one?
4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one has a molecular weight of 283.72 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 106403998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).