5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one

C11H17N3O2 — CID 103218416

IUPAC5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1(C)CCC(Cn2ncc(N)cc2=O)O1
InChIInChI=1S/C11H17N3O2/c1-11(2)4-3-9(16-11)7-14-10(15)5-8(12)6-13-14/h5-6,9H,3-4,7,12H2,1-2H3
InChIKeyBKKTWWVLKOUGLH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds2

About 5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one

5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one (PubChem CID 103218416) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
PubChem CID103218416
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1(C)CCC(Cn2ncc(N)cc2=O)O1
InChIInChI=1S/C11H17N3O2/c1-11(2)4-3-9(16-11)7-14-10(15)5-8(12)6-13-14/h5-6,9H,3-4,7,12H2,1-2H3
InChIKeyBKKTWWVLKOUGLH-UHFFFAOYSA-N
XLogP0.78
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one (CID 103218416) is 5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one is CC1(C)CCC(Cn2ncc(N)cc2=O)O1.
What is the InChIKey of 5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
The InChIKey is BKKTWWVLKOUGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2)4-3-9(16-11)7-14-10(15)5-8(12)6-13-14/h5-6,9H,3-4,7,12H2,1-2H3.
What are the key properties of 5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103218416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).