4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one

C9H14ClN3O2 — CID 114433216

IUPAC4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one
SMILESCCn1ncc(NC(C)CO)c(Cl)c1=O
InChIInChI=1S/C9H14ClN3O2/c1-3-13-9(15)8(10)7(4-11-13)12-6(2)5-14/h4,6,12,14H,3,5H2,1-2H3
InChIKeyUMNHTRYSAJCOPJ-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.71
Rot. Bonds4

About 4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one

4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one (PubChem CID 114433216) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one
PubChem CID114433216
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one
SMILESCCn1ncc(NC(C)CO)c(Cl)c1=O
InChIInChI=1S/C9H14ClN3O2/c1-3-13-9(15)8(10)7(4-11-13)12-6(2)5-14/h4,6,12,14H,3,5H2,1-2H3
InChIKeyUMNHTRYSAJCOPJ-UHFFFAOYSA-N
XLogP0.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide
CID 114433471
4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one
CID 114437766
4-chloro-2-(2-hydroxyethyl)-5-(1-methylsulfanylpropan-2-ylamino)pyridazin-3-one
CID 114442164
4-chloro-5-(heptan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435383
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
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-5-(1-hydroxybutan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433179
4-chloro-2-(2-hydroxyethyl)-5-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridazin-3-one
CID 114442513

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one (CID 114433216) is 4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one is CCn1ncc(NC(C)CO)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one?
The InChIKey is UMNHTRYSAJCOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-3-13-9(15)8(10)7(4-11-13)12-6(2)5-14/h4,6,12,14H,3,5H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one?
4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one has a molecular weight of 231.68 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114433216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).