5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one

C16H12FN5O — CID 24995739

IUPAC5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESNc1nc2ccccc2c2nn(Cc3cccc(F)c3)c(=O)n12
InChIInChI=1S/C16H12FN5O/c17-11-5-3-4-10(8-11)9-21-16(23)22-14(20-21)12-6-1-2-7-13(12)19-15(22)18/h1-8H,9H2,(H2,18,19)
InChIKeyGKVMFXLFNJBUES-UHFFFAOYSA-N
MW309.30 g/mol
LogP1.81
Rot. Bonds2

About 5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one

5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one (PubChem CID 24995739) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is 5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one.

Molecular Properties

Compound Name5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
PubChem CID24995739
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC Name5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESNc1nc2ccccc2c2nn(Cc3cccc(F)c3)c(=O)n12
InChIInChI=1S/C16H12FN5O/c17-11-5-3-4-10(8-11)9-21-16(23)22-14(20-21)12-6-1-2-7-13(12)19-15(22)18/h1-8H,9H2,(H2,18,19)
InChIKeyGKVMFXLFNJBUES-UHFFFAOYSA-N
XLogP1.81
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-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 5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The IUPAC name of 5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one (CID 24995739) is 5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one.
What is the SMILES notation for 5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The canonical SMILES for 5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one is Nc1nc2ccccc2c2nn(Cc3cccc(F)c3)c(=O)n12.
What is the InChIKey of 5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The InChIKey is GKVMFXLFNJBUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O/c17-11-5-3-4-10(8-11)9-21-16(23)22-14(20-21)12-6-1-2-7-13(12)19-15(22)18/h1-8H,9H2,(H2,18,19).
What are the key properties of 5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one has a molecular weight of 309.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one is sourced from PubChem (CID 24995739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).