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

C11H17N3O2 — CID 103218368

IUPAC5-amino-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one
SMILESNc1cnn(CCCC2CCCO2)c(=O)c1
InChIInChI=1S/C11H17N3O2/c12-9-7-11(15)14(13-8-9)5-1-3-10-4-2-6-16-10/h7-8,10H,1-6,12H2
InChIKeyTYWCQUNUWBCOGQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds4

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

5-amino-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one (PubChem CID 103218368) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one
PubChem CID103218368
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-amino-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one
SMILESNc1cnn(CCCC2CCCO2)c(=O)c1
InChIInChI=1S/C11H17N3O2/c12-9-7-11(15)14(13-8-9)5-1-3-10-4-2-6-16-10/h7-8,10H,1-6,12H2
InChIKeyTYWCQUNUWBCOGQ-UHFFFAOYSA-N
XLogP0.78
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one (CID 103218368) is 5-amino-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one is Nc1cnn(CCCC2CCCO2)c(=O)c1.
What is the InChIKey of 5-amino-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one?
The InChIKey is TYWCQUNUWBCOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-9-7-11(15)14(13-8-9)5-1-3-10-4-2-6-16-10/h7-8,10H,1-6,12H2.
What are the key properties of 5-amino-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one?
5-amino-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one is sourced from PubChem (CID 103218368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).