1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine

C11H19N5O — CID 66486972

IUPAC1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine
SMILESC1COC(c2n[nH]c(CN3CCNCC3)n2)C1
InChIInChI=1S/C11H19N5O/c1-2-9(17-7-1)11-13-10(14-15-11)8-16-5-3-12-4-6-16/h9,12H,1-8H2,(H,13,14,15)
InChIKeyYQHICEXOAJUCBT-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.06
Rot. Bonds3

About 1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine

1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine (PubChem CID 66486972) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine
PubChem CID66486972
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine
SMILESC1COC(c2n[nH]c(CN3CCNCC3)n2)C1
InChIInChI=1S/C11H19N5O/c1-2-9(17-7-1)11-13-10(14-15-11)8-16-5-3-12-4-6-16/h9,12H,1-8H2,(H,13,14,15)
InChIKeyYQHICEXOAJUCBT-UHFFFAOYSA-N
XLogP0.06
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine?
The IUPAC name of 1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine (CID 66486972) is 1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine is C1COC(c2n[nH]c(CN3CCNCC3)n2)C1.
What is the InChIKey of 1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine?
The InChIKey is YQHICEXOAJUCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-9(17-7-1)11-13-10(14-15-11)8-16-5-3-12-4-6-16/h9,12H,1-8H2,(H,13,14,15).
What are the key properties of 1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine?
1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine has a molecular weight of 237.31 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine is sourced from PubChem (CID 66486972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).