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

C17H18N8O2 — CID 11257094

IUPAC2-(furan-2-yl)-5-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(Cc3ccco3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C17H18N8O2/c18-15-20-16(21-17-19-14(22-25(15)17)13-4-2-10-27-13)24-7-5-23(6-8-24)11-12-3-1-9-26-12/h1-4,9-10H,5-8,11H2,(H2,18,19,20,21,22)
InChIKeyHLCUBWZJFIYLEE-UHFFFAOYSA-N
MW366.39 g/mol
LogP1.28
Rot. Bonds4

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

2-(furan-2-yl)-5-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 11257094) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID11257094
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name2-(furan-2-yl)-5-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(Cc3ccco3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C17H18N8O2/c18-15-20-16(21-17-19-14(22-25(15)17)13-4-2-10-27-13)24-7-5-23(6-8-24)11-12-3-1-9-26-12/h1-4,9-10H,5-8,11H2,(H2,18,19,20,21,22)
InChIKeyHLCUBWZJFIYLEE-UHFFFAOYSA-N
XLogP1.28
TPSA114.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 11257094) is 2-(furan-2-yl)-5-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(N2CCN(Cc3ccco3)CC2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is HLCUBWZJFIYLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c18-15-20-16(21-17-19-14(22-25(15)17)13-4-2-10-27-13)24-7-5-23(6-8-24)11-12-3-1-9-26-12/h1-4,9-10H,5-8,11H2,(H2,18,19,20,21,22).
What are the key properties of 2-(furan-2-yl)-5-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 366.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 11257094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).