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

C26H24N8O2 — CID 51051145

IUPAC1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone
SMILESNc1nc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C26H24N8O2/c27-24-29-25(30-26-28-22(31-34(24)26)20-12-7-17-36-20)33-15-13-32(14-16-33)23(35)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2,(H2,27,28,29,30,31)
InChIKeyJJJCYECCFBECJK-UHFFFAOYSA-N
MW480.53 g/mol
LogP2.84
Rot. Bonds5

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

1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 51051145) has the molecular formula C26H24N8O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone
PubChem CID51051145
Molecular FormulaC26H24N8O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone
SMILESNc1nc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C26H24N8O2/c27-24-29-25(30-26-28-22(31-34(24)26)20-12-7-17-36-20)33-15-13-32(14-16-33)23(35)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2,(H2,27,28,29,30,31)
InChIKeyJJJCYECCFBECJK-UHFFFAOYSA-N
XLogP2.84
TPSA118.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone (CID 51051145) is 1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone is Nc1nc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is JJJCYECCFBECJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O2/c27-24-29-25(30-26-28-22(31-34(24)26)20-12-7-17-36-20)33-15-13-32(14-16-33)23(35)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2,(H2,27,28,29,30,31).
What are the key properties of 1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone?
1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 480.53 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 51051145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).