2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one

C13H22ClN3O2 — CID 114436331

IUPAC2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one
SMILESCCCCn1ncc(NC(C)COCC)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O2/c1-4-6-7-17-13(18)12(14)11(8-15-17)16-10(3)9-19-5-2/h8,10,16H,4-7,9H2,1-3H3
InChIKeyVHQFYOIEFKQAFV-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.53
Rot. Bonds8

About 2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one

2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one (PubChem CID 114436331) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one
PubChem CID114436331
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one
SMILESCCCCn1ncc(NC(C)COCC)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O2/c1-4-6-7-17-13(18)12(14)11(8-15-17)16-10(3)9-19-5-2/h8,10,16H,4-7,9H2,1-3H3
InChIKeyVHQFYOIEFKQAFV-UHFFFAOYSA-N
XLogP2.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
2-butyl-4-chloro-5-(4-methylsulfanylbutan-2-ylamino)pyridazin-3-one
CID 114442233
4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114436918
4-chloro-5-(heptan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435383
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114442160
4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one
CID 106162048
5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one
CID 114446557
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329
2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 114434723
4-chloro-2-[2-(dimethylamino)ethyl]-5-(pentan-2-ylamino)pyridazin-3-one
CID 114432002

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one (CID 114436331) is 2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one is CCCCn1ncc(NC(C)COCC)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one?
The InChIKey is VHQFYOIEFKQAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-4-6-7-17-13(18)12(14)11(8-15-17)16-10(3)9-19-5-2/h8,10,16H,4-7,9H2,1-3H3.
What are the key properties of 2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one?
2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one has a molecular weight of 287.79 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114436331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).