2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol

C17H23N7O2 — CID 12052555

About 2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol

2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol (PubChem CID 12052555) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

• Compound Name: 2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol
• PubChem CID: 12052555
• Molecular Formula: C17H23N7O2
• Molecular Weight: 357.42 g/mol
• Exact Mass: 357.19
• IUPAC Name: 2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol
• SMILES: CC(C)(CO)N1CCN(c2cc3nc(-c4ccco4)nn3c(N)n2)CC1
• InChI: InChI=1S/C17H23N7O2/c1-17(2,11-25)23-7-5-22(6-8-23)13-10-14-19-15(12-4-3-9-26-12)21-24(14)16(18)20-13/h3-4,9-10,25H,5-8,11H2,1-2H3,(H2,18,20)
• InChIKey: LFGQGMCEGQPJHL-UHFFFAOYSA-N
• XLogP: 0.86
• TPSA: 108.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.42
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol?

The IUPAC name of 2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol (CID 12052555) is 2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol.

What is the SMILES notation for 2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol?

The canonical SMILES for 2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol is CC(C)(CO)N1CCN(c2cc3nc(-c4ccco4)nn3c(N)n2)CC1.

What is the InChIKey of 2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol?

The InChIKey is LFGQGMCEGQPJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-17(2,11-25)23-7-5-22(6-8-23)13-10-14-19-15(12-4-3-9-26-12)21-24(14)16(18)20-13/h3-4,9-10,25H,5-8,11H2,1-2H3,(H2,18,20).

What are the key properties of 2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol?

2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol has a molecular weight of 357.42 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 12052555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).