4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one

C12H19ClN4O2 — CID 104973221

IUPAC4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
SMILESO=c1c(Cl)c(NCC[C@H]2CCCN2)cnn1CCO
InChIInChI=1S/C12H19ClN4O2/c13-11-10(8-16-17(6-7-18)12(11)19)15-5-3-9-2-1-4-14-9/h8-9,14-15,18H,1-7H2/t9-/m1/s1
InChIKeyKBOFUJYNWUFEHQ-SECBINFHSA-N
MW286.76 g/mol
LogP0.44
Rot. Bonds6

About 4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one

4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one (PubChem CID 104973221) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
PubChem CID104973221
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
SMILESO=c1c(Cl)c(NCC[C@H]2CCCN2)cnn1CCO
InChIInChI=1S/C12H19ClN4O2/c13-11-10(8-16-17(6-7-18)12(11)19)15-5-3-9-2-1-4-14-9/h8-9,14-15,18H,1-7H2/t9-/m1/s1
InChIKeyKBOFUJYNWUFEHQ-SECBINFHSA-N
XLogP0.44
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-(2-hydroxyethyl)-5-(2-pyrrolidin-2-ylethylamino)pyridazin-3-one
CID 114794545
4-chloro-2-methyl-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973471
4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973422
4-chloro-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 104973109
4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114434041
4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973090
4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444318
4-bromo-2-(2-methoxyethyl)-5-(2-pyrrolidin-2-ylethylamino)pyridazin-3-one
CID 114794546
4-chloro-5-(2,2-dicyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439507
4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435208
4-chloro-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 106311130
4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one
CID 114441017

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one (CID 104973221) is 4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one is O=c1c(Cl)c(NCC[C@H]2CCCN2)cnn1CCO.
What is the InChIKey of 4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
The InChIKey is KBOFUJYNWUFEHQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c13-11-10(8-16-17(6-7-18)12(11)19)15-5-3-9-2-1-4-14-9/h8-9,14-15,18H,1-7H2/t9-/m1/s1.
What are the key properties of 4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one has a molecular weight of 286.76 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one is sourced from PubChem (CID 104973221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).