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

C15H16FN5O — CID 23607518

IUPAC1-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCC(C)Cc1n[nH]c(=O)c2c1nnn2Cc1ccccc1F
InChIInChI=1S/C15H16FN5O/c1-9(2)7-12-13-14(15(22)19-17-12)21(20-18-13)8-10-5-3-4-6-11(10)16/h3-6,9H,7-8H2,1-2H3,(H,19,22)
InChIKeyQSSIEQSCTVWMDS-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.90
Rot. Bonds4

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

1-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)-6H-triazolo[4,5-d]pyridazin-7-one (PubChem CID 23607518) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)-6H-triazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)-6H-triazolo[4,5-d]pyridazin-7-one
PubChem CID23607518
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCC(C)Cc1n[nH]c(=O)c2c1nnn2Cc1ccccc1F
InChIInChI=1S/C15H16FN5O/c1-9(2)7-12-13-14(15(22)19-17-12)21(20-18-13)8-10-5-3-4-6-11(10)16/h3-6,9H,7-8H2,1-2H3,(H,19,22)
InChIKeyQSSIEQSCTVWMDS-UHFFFAOYSA-N
XLogP1.90
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)-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-(2-methylpropyl)-6H-triazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)-6H-triazolo[4,5-d]pyridazin-7-one (CID 23607518) is 1-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)-6H-triazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)-6H-triazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)-6H-triazolo[4,5-d]pyridazin-7-one is CC(C)Cc1n[nH]c(=O)c2c1nnn2Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)-6H-triazolo[4,5-d]pyridazin-7-one?
The InChIKey is QSSIEQSCTVWMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-9(2)7-12-13-14(15(22)19-17-12)21(20-18-13)8-10-5-3-4-6-11(10)16/h3-6,9H,7-8H2,1-2H3,(H,19,22).
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)-6H-triazolo[4,5-d]pyridazin-7-one?
1-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)-6H-triazolo[4,5-d]pyridazin-7-one has a molecular weight of 301.32 g/mol, XLogP of 1.90, 4 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-(2-methylpropyl)-6H-triazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 23607518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).