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

C12H10FN5O — CID 23606897

IUPAC1-[(4-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCc1n[nH]c(=O)c2c1nnn2Cc1ccc(F)cc1
InChIInChI=1S/C12H10FN5O/c1-7-10-11(12(19)16-14-7)18(17-15-10)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,16,19)
InChIKeyUIATWCWVTXJPKU-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.01
Rot. Bonds2

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

1-[(4-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one (PubChem CID 23606897) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one
PubChem CID23606897
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name1-[(4-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCc1n[nH]c(=O)c2c1nnn2Cc1ccc(F)cc1
InChIInChI=1S/C12H10FN5O/c1-7-10-11(12(19)16-14-7)18(17-15-10)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,16,19)
InChIKeyUIATWCWVTXJPKU-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-[(4-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

Related Compounds

3-benzyl-7-propyl-3,5-dihydro-4H-[1,2,3]triazolo[4,5-d]pyridazin-4-one
CID 23607531
3-(2-chlorobenzyl)-7-methyl-3,5-dihydro-4H-[1,2,3]triazolo[4,5-d]pyridazin-4-one
CID 23606916
3-(2-fluorobenzyl)-7-isobutyl-3,5-dihydro-4H-[1,2,3]triazolo[4,5-d]pyridazin-4-one
CID 23607518
3-(2-fluorobenzyl)-7-propyl-3,5-dihydro-4H-[1,2,3]triazolo[4,5-d]pyridazin-4-one
CID 23607520
3-(2-chlorobenzyl)-7-(trifluoromethyl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-d]pyridazin-4-one
CID 23610255
1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one
CID 23610254
1-Benzyl-5-Methyl-1H-1,2,3-Triazole-4-Carboxamide
CID 18526204
3-Benzyl-5,7-dimethylpyrazolo[4,5-d]triazin-4-one
CID 10634752
3-[(4-Fluorophenyl)methyl]-5,7-dimethylpyrazolo[4,5-d]triazin-4-one
CID 39892451
5-(4-Acetyl-5-methyltriazol-1-yl)-2-benzylpyridazin-3-one
CID 76335630
5-(4-fluorophenyl)-1-methyl-3-propan-2-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 172452636
1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)ethanone
CID 2764583

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one (CID 23606897) is 1-[(4-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one is Cc1n[nH]c(=O)c2c1nnn2Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one?
The InChIKey is UIATWCWVTXJPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-7-10-11(12(19)16-14-7)18(17-15-10)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,16,19).
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one?
1-[(4-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-[(4-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 23606897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).