4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one

C11H20N4O — CID 103192683

IUPAC4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one
SMILESCCN(c1cn[nH]c(=O)c1)C(C)CN(C)C
InChIInChI=1S/C11H20N4O/c1-5-15(9(2)8-14(3)4)10-6-11(16)13-12-7-10/h6-7,9H,5,8H2,1-4H3,(H,13,16)
InChIKeyRQNBQZHPSHMFOH-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.55
Rot. Bonds5

About 4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one

4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one (PubChem CID 103192683) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one
PubChem CID103192683
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one
SMILESCCN(c1cn[nH]c(=O)c1)C(C)CN(C)C
InChIInChI=1S/C11H20N4O/c1-5-15(9(2)8-14(3)4)10-6-11(16)13-12-7-10/h6-7,9H,5,8H2,1-4H3,(H,13,16)
InChIKeyRQNBQZHPSHMFOH-UHFFFAOYSA-N
XLogP0.55
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one?
The IUPAC name of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one (CID 103192683) is 4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one is CCN(c1cn[nH]c(=O)c1)C(C)CN(C)C.
What is the InChIKey of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one?
The InChIKey is RQNBQZHPSHMFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-15(9(2)8-14(3)4)10-6-11(16)13-12-7-10/h6-7,9H,5,8H2,1-4H3,(H,13,16).
What are the key properties of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one?
4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one has a molecular weight of 224.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 103192683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).