4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one

C14H23ClN4O2 — CID 114443685

IUPAC4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one
SMILESCNC(C)C1CCN(c2cnn(CCO)c(=O)c2Cl)CC1
InChIInChI=1S/C14H23ClN4O2/c1-10(16-2)11-3-5-18(6-4-11)12-9-17-19(7-8-20)14(21)13(12)15/h9-11,16,20H,3-8H2,1-2H3
InChIKeyYDHLJZAQSMTDPD-UHFFFAOYSA-N
MW314.82 g/mol
LogP0.71
Rot. Bonds5

About 4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one

4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 114443685) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one
PubChem CID114443685
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one
SMILESCNC(C)C1CCN(c2cnn(CCO)c(=O)c2Cl)CC1
InChIInChI=1S/C14H23ClN4O2/c1-10(16-2)11-3-5-18(6-4-11)12-9-17-19(7-8-20)14(21)13(12)15/h9-11,16,20H,3-8H2,1-2H3
InChIKeyYDHLJZAQSMTDPD-UHFFFAOYSA-N
XLogP0.71
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-ethyl-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one
CID 114443681
4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433340
4-bromo-2-(2-hydroxyethyl)-5-[4-(methylamino)piperidin-1-yl]pyridazin-3-one
CID 114443580
4-chloro-5-[4-(ethylamino)piperidin-1-yl]-2-propylpyridazin-3-one
CID 114443611
4-chloro-5-[3-[1-(methylamino)ethyl]piperidin-1-yl]-2-prop-2-enylpyridazin-3-one
CID 114443666
4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one
CID 114446079
4-chloro-5-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 47281084
4-chloro-5-(2,2-dicyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439507
1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549177
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
5-[4-(1-aminoethyl)piperidin-1-yl]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114443693
4-chloro-2-(2-methoxyethyl)-5-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one
CID 114444903

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one (CID 114443685) is 4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one is CNC(C)C1CCN(c2cnn(CCO)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is YDHLJZAQSMTDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O2/c1-10(16-2)11-3-5-18(6-4-11)12-9-17-19(7-8-20)14(21)13(12)15/h9-11,16,20H,3-8H2,1-2H3.
What are the key properties of 4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one?
4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 314.82 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 114443685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).