2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride

C13H19ClN4O2 — CID 71755884

IUPAC2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride
SMILESCl.O=C(Cn1nc2c(cc1=O)CNCC2)N1CCCC1
InChIInChI=1S/C13H18N4O2.ClH/c18-12-7-10-8-14-4-3-11(10)15-17(12)9-13(19)16-5-1-2-6-16;/h7,14H,1-6,8-9H2;1H
InChIKeyLTECSHMKHCJORI-UHFFFAOYSA-N
MW298.77 g/mol
LogP-0.07
Rot. Bonds2

About 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride

2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride (PubChem CID 71755884) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride
PubChem CID71755884
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride
SMILESCl.O=C(Cn1nc2c(cc1=O)CNCC2)N1CCCC1
InChIInChI=1S/C13H18N4O2.ClH/c18-12-7-10-8-14-4-3-11(10)15-17(12)9-13(19)16-5-1-2-6-16;/h7,14H,1-6,8-9H2;1H
InChIKeyLTECSHMKHCJORI-UHFFFAOYSA-N
XLogP-0.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride?
The IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride (CID 71755884) is 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride.
What is the SMILES notation for 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride?
The canonical SMILES for 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride is Cl.O=C(Cn1nc2c(cc1=O)CNCC2)N1CCCC1.
What is the InChIKey of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride?
The InChIKey is LTECSHMKHCJORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2.ClH/c18-12-7-10-8-14-4-3-11(10)15-17(12)9-13(19)16-5-1-2-6-16;/h7,14H,1-6,8-9H2;1H.
What are the key properties of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride?
2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride is sourced from PubChem (CID 71755884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).