4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one

C11H16ClN3O2 — CID 114433340

IUPAC4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCC(Nc1cnn(CCO)c(=O)c1Cl)C1CC1
InChIInChI=1S/C11H16ClN3O2/c1-7(8-2-3-8)14-9-6-13-15(4-5-16)11(17)10(9)12/h6-8,14,16H,2-5H2,1H3
InChIKeyMWYDVBXHFZXCCB-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.10
Rot. Bonds5

About 4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one

4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 114433340) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID114433340
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCC(Nc1cnn(CCO)c(=O)c1Cl)C1CC1
InChIInChI=1S/C11H16ClN3O2/c1-7(8-2-3-8)14-9-6-13-15(4-5-16)11(17)10(9)12/h6-8,14,16H,2-5H2,1H3
InChIKeyMWYDVBXHFZXCCB-UHFFFAOYSA-N
XLogP1.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047
4-chloro-5-(2,2-dicyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439507
4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438468
4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one
CID 114437060
4-chloro-2-(2-hydroxyethyl)-5-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridazin-3-one
CID 114442513
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439436
4-chloro-2-(2-hydroxyethyl)-5-(1-methylsulfanylpropan-2-ylamino)pyridazin-3-one
CID 114442164
4-chloro-5-(1-hydroxybutan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433179
2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one
CID 133417909
4-chloro-5-(heptan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435383
4-chloro-5-[4-(dimethylamino)butan-2-ylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436004

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one (CID 114433340) is 4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one is CC(Nc1cnn(CCO)c(=O)c1Cl)C1CC1.
What is the InChIKey of 4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is MWYDVBXHFZXCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7(8-2-3-8)14-9-6-13-15(4-5-16)11(17)10(9)12/h6-8,14,16H,2-5H2,1H3.
What are the key properties of 4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one?
4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 257.72 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 114433340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).