3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine

C15H9FIN5O — CID 141055886

IUPAC3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine
SMILESFc1ccc(I)cc1Cn1nnc2c(-c3ccco3)ncnc21
InChIInChI=1S/C15H9FIN5O/c16-11-4-3-10(17)6-9(11)7-22-15-14(20-21-22)13(18-8-19-15)12-2-1-5-23-12/h1-6,8H,7H2
InChIKeyFGKUHKKNXGUQBU-UHFFFAOYSA-N
MW421.17 g/mol
LogP3.27
Rot. Bonds3

About 3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine

3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine (PubChem CID 141055886) has the molecular formula C15H9FIN5O and a molecular weight of 421.17 g/mol. Its IUPAC name is 3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine
PubChem CID141055886
Molecular FormulaC15H9FIN5O
Molecular Weight421.17 g/mol
Exact Mass420.98
IUPAC Name3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine
SMILESFc1ccc(I)cc1Cn1nnc2c(-c3ccco3)ncnc21
InChIInChI=1S/C15H9FIN5O/c16-11-4-3-10(17)6-9(11)7-22-15-14(20-21-22)13(18-8-19-15)12-2-1-5-23-12/h1-6,8H,7H2
InChIKeyFGKUHKKNXGUQBU-UHFFFAOYSA-N
XLogP3.27
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.17
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-[[7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]aniline
CID 141160728
azane;2-fluoro-4-[[7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]aniline
CID 68890112
3-[(4-fluoro-3-methylphenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 142152959
3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 58745810
3-[(4-chloro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 58745801
N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 162229792
3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-methylbenzoic acid
CID 68894801
9-[(3-chlorophenyl)methyl]-6-(furan-2-yl)purine
CID 5270740
3-benzyl-N-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 43816104
7-(furan-2-yl)-3-[(3-isocyanophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 58745811
3-[(7-chloro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 10270227
7-chloro-3-[(2,6-difluorophenyl)methyl]triazolo[4,5-d]pyrimidine
CID 19767697

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine?
The IUPAC name of 3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine (CID 141055886) is 3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine is Fc1ccc(I)cc1Cn1nnc2c(-c3ccco3)ncnc21.
What is the InChIKey of 3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine?
The InChIKey is FGKUHKKNXGUQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FIN5O/c16-11-4-3-10(17)6-9(11)7-22-15-14(20-21-22)13(18-8-19-15)12-2-1-5-23-12/h1-6,8H,7H2.
What are the key properties of 3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine?
3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine has a molecular weight of 421.17 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-5-iodophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 141055886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).