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

C9H16N4O — CID 103218206

IUPAC5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
SMILESCN(C)CCCn1ncc(N)cc1=O
InChIInChI=1S/C9H16N4O/c1-12(2)4-3-5-13-9(14)6-8(10)7-11-13/h6-7H,3-5,10H2,1-2H3
InChIKeyCESYLPQKCHKTMD-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.22
Rot. Bonds4

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

5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one (PubChem CID 103218206) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
PubChem CID103218206
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
SMILESCN(C)CCCn1ncc(N)cc1=O
InChIInChI=1S/C9H16N4O/c1-12(2)4-3-5-13-9(14)6-8(10)7-11-13/h6-7H,3-5,10H2,1-2H3
InChIKeyCESYLPQKCHKTMD-UHFFFAOYSA-N
XLogP-0.22
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.22
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-(dimethylamino)propyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one (CID 103218206) is 5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one is CN(C)CCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one?
The InChIKey is CESYLPQKCHKTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12(2)4-3-5-13-9(14)6-8(10)7-11-13/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one?
5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one has a molecular weight of 196.25 g/mol, XLogP of -0.22, 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-(dimethylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 103218206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).