5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one

C12H22N4O2 — CID 107506433

IUPAC5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one
SMILESCCNC(COC)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H22N4O2/c1-5-13-10(9-18-4)8-16-12(17)6-11(7-14-16)15(2)3/h6-7,10,13H,5,8-9H2,1-4H3
InChIKeyQZGRHUWRGFERCD-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.07
Rot. Bonds7

About 5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one

5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one (PubChem CID 107506433) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one
PubChem CID107506433
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one
SMILESCCNC(COC)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H22N4O2/c1-5-13-10(9-18-4)8-16-12(17)6-11(7-14-16)15(2)3/h6-7,10,13H,5,8-9H2,1-4H3
InChIKeyQZGRHUWRGFERCD-UHFFFAOYSA-N
XLogP-0.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one (CID 107506433) is 5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one is CCNC(COC)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one?
The InChIKey is QZGRHUWRGFERCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-13-10(9-18-4)8-16-12(17)6-11(7-14-16)15(2)3/h6-7,10,13H,5,8-9H2,1-4H3.
What are the key properties of 5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one has a molecular weight of 254.33 g/mol, XLogP of -0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one is sourced from PubChem (CID 107506433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).