5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one

C8H14N4O — CID 103218322

IUPAC5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCn1ncc(N)cc1=O
InChIInChI=1S/C8H14N4O/c1-11(2)3-4-12-8(13)5-7(9)6-10-12/h5-6H,3-4,9H2,1-2H3
InChIKeyBUGBRVDQEYLQDW-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.61
Rot. Bonds3

About 5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one

5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one (PubChem CID 103218322) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one
PubChem CID103218322
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCn1ncc(N)cc1=O
InChIInChI=1S/C8H14N4O/c1-11(2)3-4-12-8(13)5-7(9)6-10-12/h5-6H,3-4,9H2,1-2H3
InChIKeyBUGBRVDQEYLQDW-UHFFFAOYSA-N
XLogP-0.61
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one (CID 103218322) is 5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one is CN(C)CCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The InChIKey is BUGBRVDQEYLQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-11(2)3-4-12-8(13)5-7(9)6-10-12/h5-6H,3-4,9H2,1-2H3.
What are the key properties of 5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one has a molecular weight of 182.23 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 103218322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).