5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one

C11H17N3O2 — CID 103218552

IUPAC5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCNc1cnn(CC2CCC(C)O2)c(=O)c1
InChIInChI=1S/C11H17N3O2/c1-8-3-4-10(16-8)7-14-11(15)5-9(12-2)6-13-14/h5-6,8,10,12H,3-4,7H2,1-2H3
InChIKeyAAEPHTFWTNWRRC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.85
Rot. Bonds3

About 5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one

5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one (PubChem CID 103218552) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
PubChem CID103218552
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCNc1cnn(CC2CCC(C)O2)c(=O)c1
InChIInChI=1S/C11H17N3O2/c1-8-3-4-10(16-8)7-14-11(15)5-9(12-2)6-13-14/h5-6,8,10,12H,3-4,7H2,1-2H3
InChIKeyAAEPHTFWTNWRRC-UHFFFAOYSA-N
XLogP0.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one (CID 103218552) is 5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one is CNc1cnn(CC2CCC(C)O2)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The InChIKey is AAEPHTFWTNWRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-3-4-10(16-8)7-14-11(15)5-9(12-2)6-13-14/h5-6,8,10,12H,3-4,7H2,1-2H3.
What are the key properties of 5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103218552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).