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

C14H12FN5O — CID 121412531

IUPAC8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESNc1ncc(Cc2c(F)ccc3c2CCO3)c2nncn12
InChIInChI=1S/C14H12FN5O/c15-11-1-2-12-9(3-4-21-12)10(11)5-8-6-17-14(16)20-7-18-19-13(8)20/h1-2,6-7H,3-5H2,(H2,16,17)
InChIKeyYBUWAQMIBFIQCP-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.37
Rot. Bonds2

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

8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 121412531) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID121412531
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESNc1ncc(Cc2c(F)ccc3c2CCO3)c2nncn12
InChIInChI=1S/C14H12FN5O/c15-11-1-2-12-9(3-4-21-12)10(11)5-8-6-17-14(16)20-7-18-19-13(8)20/h1-2,6-7H,3-5H2,(H2,16,17)
InChIKeyYBUWAQMIBFIQCP-UHFFFAOYSA-N
XLogP1.37
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 121412531) is 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Nc1ncc(Cc2c(F)ccc3c2CCO3)c2nncn12.
What is the InChIKey of 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is YBUWAQMIBFIQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c15-11-1-2-12-9(3-4-21-12)10(11)5-8-6-17-14(16)20-7-18-19-13(8)20/h1-2,6-7H,3-5H2,(H2,16,17).
What are the key properties of 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 285.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 121412531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).