6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine

C11H9N5O — CID 3057067

IUPAC6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C11H9N5O/c12-10-14-9(15-11(13)16-10)8-5-6-3-1-2-4-7(6)17-8/h1-5H,(H4,12,13,14,15,16)
InChIKeyOAYWFCWKRUCHBD-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.45
Rot. Bonds1

About 6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine

6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 3057067) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID3057067
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C11H9N5O/c12-10-14-9(15-11(13)16-10)8-5-6-3-1-2-4-7(6)17-8/h1-5H,(H4,12,13,14,15,16)
InChIKeyOAYWFCWKRUCHBD-UHFFFAOYSA-N
XLogP1.45
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine (CID 3057067) is 6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OAYWFCWKRUCHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-10-14-9(15-11(13)16-10)8-5-6-3-1-2-4-7(6)17-8/h1-5H,(H4,12,13,14,15,16).
What are the key properties of 6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 227.23 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3057067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).