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

C17H23N7O3 — CID 22002379

IUPAC2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol
SMILESNc1nc(N2CCN(CCOCCO)CC2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C17H23N7O3/c18-17-20-14(23-5-3-22(4-6-23)7-10-26-11-8-25)12-15-19-16(21-24(15)17)13-2-1-9-27-13/h1-2,9,12,25H,3-8,10-11H2,(H2,18,20)
InChIKeyVMFXNNYYORZUOX-UHFFFAOYSA-N
MW373.42 g/mol
LogP0.10
Rot. Bonds7

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

2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol (PubChem CID 22002379) has the molecular formula C17H23N7O3 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol
PubChem CID22002379
Molecular FormulaC17H23N7O3
Molecular Weight373.42 g/mol
Exact Mass373.19
IUPAC Name2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol
SMILESNc1nc(N2CCN(CCOCCO)CC2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C17H23N7O3/c18-17-20-14(23-5-3-22(4-6-23)7-10-26-11-8-25)12-15-19-16(21-24(15)17)13-2-1-9-27-13/h1-2,9,12,25H,3-8,10-11H2,(H2,18,20)
InChIKeyVMFXNNYYORZUOX-UHFFFAOYSA-N
XLogP0.10
TPSA118.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002481
7-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002420
3-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 22002369
2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-1-phenylethanol
CID 22002371
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
2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 18613691
2-(furan-2-yl)-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002496
7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10149872
7-[3,5-dimethyl-4-(2-phenylmethoxyethyl)piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002286
7-[(7R,8aR)-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10215517
1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile
CID 10172970
7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 69279534

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol (CID 22002379) is 2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol is Nc1nc(N2CCN(CCOCCO)CC2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol?
The InChIKey is VMFXNNYYORZUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O3/c18-17-20-14(23-5-3-22(4-6-23)7-10-26-11-8-25)12-15-19-16(21-24(15)17)13-2-1-9-27-13/h1-2,9,12,25H,3-8,10-11H2,(H2,18,20).
What are the key properties of 2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol has a molecular weight of 373.42 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 22002379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).