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

C9H16N4O — CID 114526571

IUPAC6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
SMILESCN(C)CCCn1nc(N)ccc1=O
InChIInChI=1S/C9H16N4O/c1-12(2)6-3-7-13-9(14)5-4-8(10)11-13/h4-5H,3,6-7H2,1-2H3,(H2,10,11)
InChIKeyIJJSWELADKXBJY-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.22
Rot. Bonds4

About 6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one

6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one (PubChem CID 114526571) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
PubChem CID114526571
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
SMILESCN(C)CCCn1nc(N)ccc1=O
InChIInChI=1S/C9H16N4O/c1-12(2)6-3-7-13-9(14)5-4-8(10)11-13/h4-5H,3,6-7H2,1-2H3,(H2,10,11)
InChIKeyIJJSWELADKXBJY-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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Related Compounds

6-amino-2-(3-hydroxypropyl)pyridazin-3-one
CID 116788210
2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium
CID 168824389
6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one
CID 106729463
6-amino-2-pent-3-ynylpyridazin-3-one
CID 116788413
5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103218206
5-amino-1-[3-(dimethylamino)propyl]pyridin-2-one
CID 43259607
methyl 4-[1-[3-(dimethylamino)propyl]-6-oxopyridazin-3-yl]benzoate
CID 70027153
6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 116788287
6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
CID 116788167
6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 116788217
2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide
CID 116788262
6-amino-2-(2-methylpentyl)pyridazin-3-one
CID 116788206

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one?
The IUPAC name of 6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one (CID 114526571) is 6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one?
The canonical SMILES for 6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one is CN(C)CCCn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one?
The InChIKey is IJJSWELADKXBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12(2)6-3-7-13-9(14)5-4-8(10)11-13/h4-5H,3,6-7H2,1-2H3,(H2,10,11).
What are the key properties of 6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one?
6-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 6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 114526571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).