(3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine

C11H21N5 — CID 102797674

IUPAC(3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
SMILESC[C@@H]1CN(c2n[nH]c(C(C)(C)C)n2)CCN1
InChIInChI=1S/C11H21N5/c1-8-7-16(6-5-12-8)10-13-9(14-15-10)11(2,3)4/h8,12H,5-7H2,1-4H3,(H,13,14,15)/t8-/m1/s1
InChIKeyRPUCFIPZHYXNLU-MRVPVSSYSA-N
MW223.32 g/mol
LogP0.90
Rot. Bonds1

About (3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine

(3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine (PubChem CID 102797674) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is (3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
PubChem CID102797674
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name(3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
SMILESC[C@@H]1CN(c2n[nH]c(C(C)(C)C)n2)CCN1
InChIInChI=1S/C11H21N5/c1-8-7-16(6-5-12-8)10-13-9(14-15-10)11(2,3)4/h8,12H,5-7H2,1-4H3,(H,13,14,15)/t8-/m1/s1
InChIKeyRPUCFIPZHYXNLU-MRVPVSSYSA-N
XLogP0.90
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine?
The IUPAC name of (3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine (CID 102797674) is (3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine?
The canonical SMILES for (3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine is C[C@@H]1CN(c2n[nH]c(C(C)(C)C)n2)CCN1.
What is the InChIKey of (3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine?
The InChIKey is RPUCFIPZHYXNLU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21N5/c1-8-7-16(6-5-12-8)10-13-9(14-15-10)11(2,3)4/h8,12H,5-7H2,1-4H3,(H,13,14,15)/t8-/m1/s1.
What are the key properties of (3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine?
(3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine has a molecular weight of 223.32 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine is sourced from PubChem (CID 102797674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).