5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one

C12H19N3O2 — CID 103218685

IUPAC5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one
SMILESCNc1cnn(CCCC2CCCO2)c(=O)c1
InChIInChI=1S/C12H19N3O2/c1-13-10-8-12(16)15(14-9-10)6-2-4-11-5-3-7-17-11/h8-9,11,13H,2-7H2,1H3
InChIKeyBBLRCKABYDROIS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.24
Rot. Bonds5

About 5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one

5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one (PubChem CID 103218685) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one
PubChem CID103218685
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one
SMILESCNc1cnn(CCCC2CCCO2)c(=O)c1
InChIInChI=1S/C12H19N3O2/c1-13-10-8-12(16)15(14-9-10)6-2-4-11-5-3-7-17-11/h8-9,11,13H,2-7H2,1H3
InChIKeyBBLRCKABYDROIS-UHFFFAOYSA-N
XLogP1.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one (CID 103218685) is 5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one is CNc1cnn(CCCC2CCCO2)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one?
The InChIKey is BBLRCKABYDROIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-13-10-8-12(16)15(14-9-10)6-2-4-11-5-3-7-17-11/h8-9,11,13H,2-7H2,1H3.
What are the key properties of 5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one?
5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one has a molecular weight of 237.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one is sourced from PubChem (CID 103218685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).