2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione

C12H14N4O3 — CID 43259732

IUPAC2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione
SMILESNc1ccc(=O)n(CCCn2[nH]c(=O)ccc2=O)c1
InChIInChI=1S/C12H14N4O3/c13-9-2-4-11(18)15(8-9)6-1-7-16-12(19)5-3-10(17)14-16/h2-5,8H,1,6-7,13H2,(H,14,17)
InChIKeyODBNTWINOYGERD-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.63
Rot. Bonds4

About 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione

2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione (PubChem CID 43259732) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione
PubChem CID43259732
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione
SMILESNc1ccc(=O)n(CCCn2[nH]c(=O)ccc2=O)c1
InChIInChI=1S/C12H14N4O3/c13-9-2-4-11(18)15(8-9)6-1-7-16-12(19)5-3-10(17)14-16/h2-5,8H,1,6-7,13H2,(H,14,17)
InChIKeyODBNTWINOYGERD-UHFFFAOYSA-N
XLogP-0.63
TPSA102.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione (CID 43259732) is 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione is Nc1ccc(=O)n(CCCn2[nH]c(=O)ccc2=O)c1.
What is the InChIKey of 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione?
The InChIKey is ODBNTWINOYGERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-9-2-4-11(18)15(8-9)6-1-7-16-12(19)5-3-10(17)14-16/h2-5,8H,1,6-7,13H2,(H,14,17).
What are the key properties of 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione?
2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione has a molecular weight of 262.27 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 43259732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).