5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one

C12H20N4O2 — CID 103219133

IUPAC5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCCNc1cnn(CC2CN(C)CCO2)c(=O)c1
InChIInChI=1S/C12H20N4O2/c1-3-13-10-6-12(17)16(14-7-10)9-11-8-15(2)4-5-18-11/h6-7,11,13H,3-5,8-9H2,1-2H3
InChIKeyWWPRGQJQRZAWGA-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.01
Rot. Bonds4

About 5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one

5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one (PubChem CID 103219133) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
PubChem CID103219133
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCCNc1cnn(CC2CN(C)CCO2)c(=O)c1
InChIInChI=1S/C12H20N4O2/c1-3-13-10-6-12(17)16(14-7-10)9-11-8-15(2)4-5-18-11/h6-7,11,13H,3-5,8-9H2,1-2H3
InChIKeyWWPRGQJQRZAWGA-UHFFFAOYSA-N
XLogP0.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one (CID 103219133) is 5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one is CCNc1cnn(CC2CN(C)CCO2)c(=O)c1.
What is the InChIKey of 5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one?
The InChIKey is WWPRGQJQRZAWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-13-10-6-12(17)16(14-7-10)9-11-8-15(2)4-5-18-11/h6-7,11,13H,3-5,8-9H2,1-2H3.
What are the key properties of 5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one?
5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one has a molecular weight of 252.32 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103219133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).