3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine

C17H12FN7O — CID 58745810

IUPAC3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2ccco2)c2nnn(Cc3cc(F)c4[nH]ccc4c3)c2n1
InChIInChI=1S/C17H12FN7O/c18-11-7-9(6-10-3-4-20-13(10)11)8-25-16-15(23-24-25)14(21-17(19)22-16)12-2-1-5-26-12/h1-7,20H,8H2,(H2,19,21,22)
InChIKeyURGBUMURBGEDHI-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.73
Rot. Bonds3

About 3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine

3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 58745810) has the molecular formula C17H12FN7O and a molecular weight of 349.33 g/mol. Its IUPAC name is 3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine
PubChem CID58745810
Molecular FormulaC17H12FN7O
Molecular Weight349.33 g/mol
Exact Mass349.11
IUPAC Name3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2ccco2)c2nnn(Cc3cc(F)c4[nH]ccc4c3)c2n1
InChIInChI=1S/C17H12FN7O/c18-11-7-9(6-10-3-4-20-13(10)11)8-25-16-15(23-24-25)14(21-17(19)22-16)12-2-1-5-26-12/h1-7,20H,8H2,(H2,19,21,22)
InChIKeyURGBUMURBGEDHI-UHFFFAOYSA-N
XLogP2.73
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine (CID 58745810) is 3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine is Nc1nc(-c2ccco2)c2nnn(Cc3cc(F)c4[nH]ccc4c3)c2n1.
What is the InChIKey of 3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is URGBUMURBGEDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN7O/c18-11-7-9(6-10-3-4-20-13(10)11)8-25-16-15(23-24-25)14(21-17(19)22-16)12-2-1-5-26-12/h1-7,20H,8H2,(H2,19,21,22).
What are the key properties of 3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 349.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-fluoro-1H-indol-5-yl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 58745810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).