4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one

C9H14ClN3O2 — CID 114431361

IUPAC4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CCO)c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O2/c1-6(2)12-7-5-11-13(3-4-14)9(15)8(7)10/h5-6,12,14H,3-4H2,1-2H3
InChIKeyIHADYCOXLIMULI-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.71
Rot. Bonds4

About 4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one

4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 114431361) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID114431361
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CCO)c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O2/c1-6(2)12-7-5-11-13(3-4-14)9(15)8(7)10/h5-6,12,14H,3-4H2,1-2H3
InChIKeyIHADYCOXLIMULI-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-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
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433340
4-chloro-5-(1-hydroxybutan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433179
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
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435836
4-chloro-2-(2-hydroxyethyl)-5-[(1-methylcyclopropyl)amino]pyridazin-3-one
CID 114442535
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
4-chloro-2-(2-hydroxyethyl)-5-[3-(hydroxymethyl)pentan-3-ylamino]pyridazin-3-one
CID 114437198

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one (CID 114431361) is 4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one is CC(C)Nc1cnn(CCO)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is IHADYCOXLIMULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-6(2)12-7-5-11-13(3-4-14)9(15)8(7)10/h5-6,12,14H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one?
4-chloro-2-(2-hydroxyethyl)-5-(propan-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-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114431361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).