2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione

C11H12N4O2 — CID 63888669

IUPAC2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione
SMILESNCc1cc(Cn2[nH]c(=O)ccc2=O)ccn1
InChIInChI=1S/C11H12N4O2/c12-6-9-5-8(3-4-13-9)7-15-11(17)2-1-10(16)14-15/h1-5H,6-7,12H2,(H,14,16)
InChIKeyWATNYVQDSYQCNB-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.56
Rot. Bonds3

About 2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione

2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione (PubChem CID 63888669) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione
PubChem CID63888669
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione
SMILESNCc1cc(Cn2[nH]c(=O)ccc2=O)ccn1
InChIInChI=1S/C11H12N4O2/c12-6-9-5-8(3-4-13-9)7-15-11(17)2-1-10(16)14-15/h1-5H,6-7,12H2,(H,14,16)
InChIKeyWATNYVQDSYQCNB-UHFFFAOYSA-N
XLogP-0.56
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione (CID 63888669) is 2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione is NCc1cc(Cn2[nH]c(=O)ccc2=O)ccn1.
What is the InChIKey of 2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione?
The InChIKey is WATNYVQDSYQCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-6-9-5-8(3-4-13-9)7-15-11(17)2-1-10(16)14-15/h1-5H,6-7,12H2,(H,14,16).
What are the key properties of 2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione?
2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione has a molecular weight of 232.24 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-4-pyridinyl]methyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63888669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).