2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one

C9H15N3O2 — CID 132587173

IUPAC2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCN(C)C)n1
InChIInChI=1S/C9H15N3O2/c1-11(2)6-7-12-9(13)5-4-8(10-12)14-3/h4-5H,6-7H2,1-3H3
InChIKeyWUUGYGRNVXEMOK-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.19
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one

2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one (PubChem CID 132587173) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one
PubChem CID132587173
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCN(C)C)n1
InChIInChI=1S/C9H15N3O2/c1-11(2)6-7-12-9(13)5-4-8(10-12)14-3/h4-5H,6-7H2,1-3H3
InChIKeyWUUGYGRNVXEMOK-UHFFFAOYSA-N
XLogP-0.19
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one (CID 132587173) is 2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one?
The InChIKey is WUUGYGRNVXEMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-11(2)6-7-12-9(13)5-4-8(10-12)14-3/h4-5H,6-7H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one?
2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of -0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 132587173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).