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

C21H24N8O — CID 11304255

IUPAC2-(furan-2-yl)-5-[4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(CCCc3ccccc3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C21H24N8O/c22-19-24-20(25-21-23-18(26-29(19)21)17-9-5-15-30-17)28-13-11-27(12-14-28)10-4-8-16-6-2-1-3-7-16/h1-3,5-7,9,15H,4,8,10-14H2,(H2,22,23,24,25,26)
InChIKeyWHUCZRVZUAYCLV-UHFFFAOYSA-N
MW404.48 g/mol
LogP2.12
Rot. Bonds6

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

2-(furan-2-yl)-5-[4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 11304255) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-(3-phenylpropyl)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-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID11304255
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name2-(furan-2-yl)-5-[4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(CCCc3ccccc3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C21H24N8O/c22-19-24-20(25-21-23-18(26-29(19)21)17-9-5-15-30-17)28-13-11-27(12-14-28)10-4-8-16-6-2-1-3-7-16/h1-3,5-7,9,15H,4,8,10-14H2,(H2,22,23,24,25,26)
InChIKeyWHUCZRVZUAYCLV-UHFFFAOYSA-N
XLogP2.12
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-(3-phenylpropyl)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-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 11304255) is 2-(furan-2-yl)-5-[4-(3-phenylpropyl)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-(3-phenylpropyl)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-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(N2CCN(CCCc3ccccc3)CC2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-[4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is WHUCZRVZUAYCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c22-19-24-20(25-21-23-18(26-29(19)21)17-9-5-15-30-17)28-13-11-27(12-14-28)10-4-8-16-6-2-1-3-7-16/h1-3,5-7,9,15H,4,8,10-14H2,(H2,22,23,24,25,26).
What are the key properties of 2-(furan-2-yl)-5-[4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-[4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 404.48 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 11304255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).