2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

C8H7N7O — CID 51051249

IUPAC2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C8H7N7O/c9-6-12-7(10)15-8(13-6)11-5(14-15)4-2-1-3-16-4/h1-3H,(H4,9,10,11,12,13,14)
InChIKeyABNZWLHJBSTFHF-UHFFFAOYSA-N
MW217.19 g/mol
LogP-0.06
Rot. Bonds1

About 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 51051249) has the molecular formula C8H7N7O and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID51051249
Molecular FormulaC8H7N7O
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C8H7N7O/c9-6-12-7(10)15-8(13-6)11-5(14-15)4-2-1-3-16-4/h1-3H,(H4,9,10,11,12,13,14)
InChIKeyABNZWLHJBSTFHF-UHFFFAOYSA-N
XLogP-0.06
TPSA121.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 51051249) is 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is Nc1nc(N)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is ABNZWLHJBSTFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7O/c9-6-12-7(10)15-8(13-6)11-5(14-15)4-2-1-3-16-4/h1-3H,(H4,9,10,11,12,13,14).
What are the key properties of 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 217.19 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 51051249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).