4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one

C14H23ClN4O2 — CID 114436261

IUPAC4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCC2CCCCN2C)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O2/c1-18-6-4-3-5-11(18)9-16-12-10-17-19(7-8-21-2)14(20)13(12)15/h10-11,16H,3-9H2,1-2H3
InChIKeyMBBGKSUQUAAWPI-UHFFFAOYSA-N
MW314.82 g/mol
LogP1.44
Rot. Bonds6

About 4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one

4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one (PubChem CID 114436261) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
PubChem CID114436261
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCC2CCCCN2C)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O2/c1-18-6-4-3-5-11(18)9-16-12-10-17-19(7-8-21-2)14(20)13(12)15/h10-11,16H,3-9H2,1-2H3
InChIKeyMBBGKSUQUAAWPI-UHFFFAOYSA-N
XLogP1.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-methylpyrrolidin-2-yl)methylamino]pyridazin-3-one
CID 106026691
4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114417794
4-chloro-5-[(1-methylpyrrolidin-2-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 106026687
4-chloro-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 107389667
4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115693522
4-chloro-5-[(2-hydroxycycloheptyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114441395
4-chloro-5-(1,4-dioxan-2-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 115610747
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186
2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
CID 114433066
4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one
CID 114446982
4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115899027
5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
CID 114444847

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one (CID 114436261) is 4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one is COCCn1ncc(NCC2CCCCN2C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one?
The InChIKey is MBBGKSUQUAAWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O2/c1-18-6-4-3-5-11(18)9-16-12-10-17-19(7-8-21-2)14(20)13(12)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one?
4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one has a molecular weight of 314.82 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114436261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).