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

C13H23N5O — CID 102792827

IUPAC1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCC1OC(C)C(c2nc(N3CCNCC3)n[nH]2)C1C
InChIInChI=1S/C13H23N5O/c1-8-9(2)19-10(3)11(8)12-15-13(17-16-12)18-6-4-14-5-7-18/h8-11,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyCLMAGUWFOBQXFG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.74
Rot. Bonds2

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

1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102792827) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102792827
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCC1OC(C)C(c2nc(N3CCNCC3)n[nH]2)C1C
InChIInChI=1S/C13H23N5O/c1-8-9(2)19-10(3)11(8)12-15-13(17-16-12)18-6-4-14-5-7-18/h8-11,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyCLMAGUWFOBQXFG-UHFFFAOYSA-N
XLogP0.74
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[3-(tetrahydrofuran-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide
CID 74240813
(3S,5S)-1-methyl-5-[3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-amine
CID 74234861
(1S,5S)-N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 128741463
4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine
CID 163780408
4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine
CID 55251228
3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole
CID 61337379
3-cyclohexyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole
CID 61338163
4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine
CID 63876692
4-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine
CID 63876860
4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine
CID 63876862
5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-amine
CID 65154844
3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole
CID 65155188

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102792827) is 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperazine is CC1OC(C)C(c2nc(N3CCNCC3)n[nH]2)C1C.
What is the InChIKey of 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is CLMAGUWFOBQXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-8-9(2)19-10(3)11(8)12-15-13(17-16-12)18-6-4-14-5-7-18/h8-11,14H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperazine?
1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 265.36 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102792827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).