5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C19H20N8O — CID 11199731

IUPAC5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(Cc3ccccc3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C19H20N8O/c20-17-22-18(23-19-21-16(24-27(17)19)15-7-4-12-28-15)26-10-8-25(9-11-26)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,20,21,22,23,24)
InChIKeyKPTVFLZETSRCFF-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.68
Rot. Bonds4

About 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 11199731) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID11199731
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(Cc3ccccc3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C19H20N8O/c20-17-22-18(23-19-21-16(24-27(17)19)15-7-4-12-28-15)26-10-8-25(9-11-26)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,20,21,22,23,24)
InChIKeyKPTVFLZETSRCFF-UHFFFAOYSA-N
XLogP1.68
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 11199731) is 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(N2CCN(Cc3ccccc3)CC2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is KPTVFLZETSRCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c20-17-22-18(23-19-21-16(24-27(17)19)15-7-4-12-28-15)26-10-8-25(9-11-26)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,20,21,22,23,24).
What are the key properties of 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 376.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 11199731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).