7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one

C14H11ClFN5O2 — CID 168911284

IUPAC7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one
SMILESO=c1c2nn(Cc3ccccc3F)c(Cl)c2nnn1C1COC1
InChIInChI=1S/C14H11ClFN5O2/c15-13-11-12(14(22)21(19-17-11)9-6-23-7-9)18-20(13)5-8-3-1-2-4-10(8)16/h1-4,9H,5-7H2
InChIKeyMHMBFXSWAPGFLD-UHFFFAOYSA-N
MW335.73 g/mol
LogP1.40
Rot. Bonds3

About 7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one

7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one (PubChem CID 168911284) has the molecular formula C14H11ClFN5O2 and a molecular weight of 335.73 g/mol. Its IUPAC name is 7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one.

Molecular Properties

Compound Name7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one
PubChem CID168911284
Molecular FormulaC14H11ClFN5O2
Molecular Weight335.73 g/mol
Exact Mass335.06
IUPAC Name7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one
SMILESO=c1c2nn(Cc3ccccc3F)c(Cl)c2nnn1C1COC1
InChIInChI=1S/C14H11ClFN5O2/c15-13-11-12(14(22)21(19-17-11)9-6-23-7-9)18-20(13)5-8-3-1-2-4-10(8)16/h1-4,9H,5-7H2
InChIKeyMHMBFXSWAPGFLD-UHFFFAOYSA-N
XLogP1.40
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one?
The IUPAC name of 7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one (CID 168911284) is 7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one.
What is the SMILES notation for 7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one?
The canonical SMILES for 7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one is O=c1c2nn(Cc3ccccc3F)c(Cl)c2nnn1C1COC1.
What is the InChIKey of 7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one?
The InChIKey is MHMBFXSWAPGFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5O2/c15-13-11-12(14(22)21(19-17-11)9-6-23-7-9)18-20(13)5-8-3-1-2-4-10(8)16/h1-4,9H,5-7H2.
What are the key properties of 7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one?
7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one has a molecular weight of 335.73 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[(2-fluorophenyl)methyl]-3-(oxetan-3-yl)pyrazolo[4,3-d]triazin-4-one is sourced from PubChem (CID 168911284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).