3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one

C12H11FN6O — CID 107347731

IUPAC3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)n(Cc3cccc(N)c3F)nnc21
InChIInChI=1S/C12H11FN6O/c1-18-11-8(5-15-18)12(20)19(17-16-11)6-7-3-2-4-9(14)10(7)13/h2-5H,6,14H2,1H3
InChIKeyIJBQFLGMUDYBLO-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.29
Rot. Bonds2

About 3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one

3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one (PubChem CID 107347731) has the molecular formula C12H11FN6O and a molecular weight of 274.26 g/mol. Its IUPAC name is 3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
PubChem CID107347731
Molecular FormulaC12H11FN6O
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)n(Cc3cccc(N)c3F)nnc21
InChIInChI=1S/C12H11FN6O/c1-18-11-8(5-15-18)12(20)19(17-16-11)6-7-3-2-4-9(14)10(7)13/h2-5H,6,14H2,1H3
InChIKeyIJBQFLGMUDYBLO-UHFFFAOYSA-N
XLogP0.29
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-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-[[3-(aminomethyl)-2-fluorophenyl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 107113919
3-[2-(2,3-difluorophenyl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 167822338
1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one
CID 136513647
3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 104514014
3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 103934867
3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 80609361
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 80664214
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 136513648
3-[(1-benzylimidazol-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 136513674
3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 167874037
3-(9-bromononyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 105343168
3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 103744176

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one (CID 107347731) is 3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one is Cn1ncc2c(=O)n(Cc3cccc(N)c3F)nnc21.
What is the InChIKey of 3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is IJBQFLGMUDYBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6O/c1-18-11-8(5-15-18)12(20)19(17-16-11)6-7-3-2-4-9(14)10(7)13/h2-5H,6,14H2,1H3.
What are the key properties of 3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 274.26 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 107347731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).