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-dimethylpropan-1-one

C17H22N8O2 — CID 51051146

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-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1
InChIInChI=1S/C17H22N8O2/c1-17(2,3)13(26)23-6-8-24(9-7-23)15-20-14(18)25-16(21-15)19-12(22-25)11-5-4-10-27-11/h4-5,10H,6-9H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyLWXRSALYPIBTRY-UHFFFAOYSA-N
MW370.42 g/mol
LogP1.06
Rot. Bonds2

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-dimethylpropan-1-one

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-dimethylpropan-1-one (PubChem CID 51051146) has the molecular formula C17H22N8O2 and a molecular weight of 370.42 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-dimethylpropan-1-one.

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-dimethylpropan-1-one
PubChem CID51051146
Molecular FormulaC17H22N8O2
Molecular Weight370.42 g/mol
Exact Mass370.19
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-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1
InChIInChI=1S/C17H22N8O2/c1-17(2,3)13(26)23-6-8-24(9-7-23)15-20-14(18)25-16(21-15)19-12(22-25)11-5-4-10-27-11/h4-5,10H,6-9H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyLWXRSALYPIBTRY-UHFFFAOYSA-N
XLogP1.06
TPSA118.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 51.06
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-dimethylpropan-1-one 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-dimethylpropan-1-one?
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-dimethylpropan-1-one (CID 51051146) 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-dimethylpropan-1-one.
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-dimethylpropan-1-one?
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-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1.
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-dimethylpropan-1-one?
The InChIKey is LWXRSALYPIBTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2/c1-17(2,3)13(26)23-6-8-24(9-7-23)15-20-14(18)25-16(21-15)19-12(22-25)11-5-4-10-27-11/h4-5,10H,6-9H2,1-3H3,(H2,18,19,20,21,22).
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-dimethylpropan-1-one?
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-dimethylpropan-1-one has a molecular weight of 370.42 g/mol, XLogP of 1.06, 2 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-dimethylpropan-1-one is sourced from PubChem (CID 51051146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).