1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one

C12H10FN5O — CID 23610254

IUPAC1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCc1n[nH]c(=O)c2c1nnn2Cc1ccccc1F
InChIInChI=1S/C12H10FN5O/c1-7-10-11(12(19)16-14-7)18(17-15-10)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,16,19)
InChIKeyPZRZQVBGIZNKET-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.01
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one

1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one (PubChem CID 23610254) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one
PubChem CID23610254
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCc1n[nH]c(=O)c2c1nnn2Cc1ccccc1F
InChIInChI=1S/C12H10FN5O/c1-7-10-11(12(19)16-14-7)18(17-15-10)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,16,19)
InChIKeyPZRZQVBGIZNKET-UHFFFAOYSA-N
XLogP1.01
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one (CID 23610254) is 1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one is Cc1n[nH]c(=O)c2c1nnn2Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one?
The InChIKey is PZRZQVBGIZNKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-7-10-11(12(19)16-14-7)18(17-15-10)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,16,19).
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one?
1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one has a molecular weight of 259.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 23610254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).