6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one

C14H17N3O2 — CID 82420094

IUPAC6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
SMILESCc1cc(C)c(-n2nc(CN)c(O)cc2=O)c(C)c1
InChIInChI=1S/C14H17N3O2/c1-8-4-9(2)14(10(3)5-8)17-13(19)6-12(18)11(7-15)16-17/h4-6,18H,7,15H2,1-3H3
InChIKeyFIZRAPRJXSYRDR-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.32
Rot. Bonds2

About 6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one

6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one (PubChem CID 82420094) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
PubChem CID82420094
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
SMILESCc1cc(C)c(-n2nc(CN)c(O)cc2=O)c(C)c1
InChIInChI=1S/C14H17N3O2/c1-8-4-9(2)14(10(3)5-8)17-13(19)6-12(18)11(7-15)16-17/h4-6,18H,7,15H2,1-3H3
InChIKeyFIZRAPRJXSYRDR-UHFFFAOYSA-N
XLogP1.32
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one?
The IUPAC name of 6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one (CID 82420094) is 6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one?
The canonical SMILES for 6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one is Cc1cc(C)c(-n2nc(CN)c(O)cc2=O)c(C)c1.
What is the InChIKey of 6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one?
The InChIKey is FIZRAPRJXSYRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-4-9(2)14(10(3)5-8)17-13(19)6-12(18)11(7-15)16-17/h4-6,18H,7,15H2,1-3H3.
What are the key properties of 6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one?
6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one has a molecular weight of 259.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one is sourced from PubChem (CID 82420094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).