N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C20H15F2N5O — CID 121432864

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESFc1ccccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
InChIInChI=1S/C20H15F2N5O/c21-16-4-2-1-3-12(16)15-10-24-20(27-11-25-26-19(15)27)23-9-14-13-7-8-28-18(13)6-5-17(14)22/h1-6,10-11H,7-9H2,(H,23,24)
InChIKeyBKRIWBCIRWPTGB-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.62
Rot. Bonds4

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 121432864) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID121432864
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESFc1ccccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
InChIInChI=1S/C20H15F2N5O/c21-16-4-2-1-3-12(16)15-10-24-20(27-11-25-26-19(15)27)23-9-14-13-7-8-28-18(13)6-5-17(14)22/h1-6,10-11H,7-9H2,(H,23,24)
InChIKeyBKRIWBCIRWPTGB-UHFFFAOYSA-N
XLogP3.62
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine 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 N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 121432864) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Fc1ccccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is BKRIWBCIRWPTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c21-16-4-2-1-3-12(16)15-10-24-20(27-11-25-26-19(15)27)23-9-14-13-7-8-28-18(13)6-5-17(14)22/h1-6,10-11H,7-9H2,(H,23,24).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 379.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 121432864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).