1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine

C12H23N5O — CID 103019811

IUPAC1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
SMILESCOC(C)(C)c1nc(N2CC(C)NC(C)C2)n[nH]1
InChIInChI=1S/C12H23N5O/c1-8-6-17(7-9(2)13-8)11-14-10(15-16-11)12(3,4)18-5/h8-9,13H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyCMBXBPASQWZHER-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.87
Rot. Bonds3

About 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine

1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine (PubChem CID 103019811) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
PubChem CID103019811
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
SMILESCOC(C)(C)c1nc(N2CC(C)NC(C)C2)n[nH]1
InChIInChI=1S/C12H23N5O/c1-8-6-17(7-9(2)13-8)11-14-10(15-16-11)12(3,4)18-5/h8-9,13H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyCMBXBPASQWZHER-UHFFFAOYSA-N
XLogP0.87
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine (CID 103019811) is 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine is COC(C)(C)c1nc(N2CC(C)NC(C)C2)n[nH]1.
What is the InChIKey of 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
The InChIKey is CMBXBPASQWZHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-8-6-17(7-9(2)13-8)11-14-10(15-16-11)12(3,4)18-5/h8-9,13H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine has a molecular weight of 253.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine is sourced from PubChem (CID 103019811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).