6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one

C8H11N3O — CID 145279557

IUPAC6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one
SMILESCN1CCc2c(cn[nH]c2=O)C1
InChIInChI=1S/C8H11N3O/c1-11-3-2-7-6(5-11)4-9-10-8(7)12/h4H,2-3,5H2,1H3,(H,10,12)
InChIKeyQVTYGKMMLBIJGV-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.24
Rot. Bonds

About 6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one

6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one (PubChem CID 145279557) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one
PubChem CID145279557
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one
SMILESCN1CCc2c(cn[nH]c2=O)C1
InChIInChI=1S/C8H11N3O/c1-11-3-2-7-6(5-11)4-9-10-8(7)12/h4H,2-3,5H2,1H3,(H,10,12)
InChIKeyQVTYGKMMLBIJGV-UHFFFAOYSA-N
XLogP-0.24
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one (CID 145279557) is 6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one is CN1CCc2c(cn[nH]c2=O)C1.
What is the InChIKey of 6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one?
The InChIKey is QVTYGKMMLBIJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-3-2-7-6(5-11)4-9-10-8(7)12/h4H,2-3,5H2,1H3,(H,10,12).
What are the key properties of 6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one?
6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one has a molecular weight of 165.20 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 145279557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).