4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one

C13H21ClN4O2 — CID 121472621

IUPAC4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one
SMILESCOCCN1CCCC(Nc2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C13H21ClN4O2/c1-17-13(19)12(14)11(8-15-17)16-10-4-3-5-18(9-10)6-7-20-2/h8,10,16H,3-7,9H2,1-2H3
InChIKeyLQUBRYNALFIBGJ-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.96
Rot. Bonds5

About 4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one

4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one (PubChem CID 121472621) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one
PubChem CID121472621
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one
SMILESCOCCN1CCCC(Nc2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C13H21ClN4O2/c1-17-13(19)12(14)11(8-15-17)16-10-4-3-5-18(9-10)6-7-20-2/h8,10,16H,3-7,9H2,1-2H3
InChIKeyLQUBRYNALFIBGJ-UHFFFAOYSA-N
XLogP0.96
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one (CID 121472621) is 4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one is COCCN1CCCC(Nc2cnn(C)c(=O)c2Cl)C1.
What is the InChIKey of 4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one?
The InChIKey is LQUBRYNALFIBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-17-13(19)12(14)11(8-15-17)16-10-4-3-5-18(9-10)6-7-20-2/h8,10,16H,3-7,9H2,1-2H3.
What are the key properties of 4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one?
4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one has a molecular weight of 300.79 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 121472621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).