2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C13H22N4O — CID 63253379

IUPAC2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESCCN(CC)CCn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C13H22N4O/c1-3-16(4-2)7-8-17-13(18)9-11-10-14-6-5-12(11)15-17/h9,14H,3-8,10H2,1-2H3
InChIKeyHXWVTSDJXGZPJT-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.23
Rot. Bonds5

About 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 63253379) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID63253379
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESCCN(CC)CCn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C13H22N4O/c1-3-16(4-2)7-8-17-13(18)9-11-10-14-6-5-12(11)15-17/h9,14H,3-8,10H2,1-2H3
InChIKeyHXWVTSDJXGZPJT-UHFFFAOYSA-N
XLogP0.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 63253379) is 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is CCN(CC)CCn1nc2c(cc1=O)CNCC2.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is HXWVTSDJXGZPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-16(4-2)7-8-17-13(18)9-11-10-14-6-5-12(11)15-17/h9,14H,3-8,10H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 250.35 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 63253379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).