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

C11H19N5O — CID 102797516

IUPAC(3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESC[C@@H]1CN(c2n[nH]c(C3CCCO3)n2)CCN1
InChIInChI=1S/C11H19N5O/c1-8-7-16(5-4-12-8)11-13-10(14-15-11)9-3-2-6-17-9/h8-9,12H,2-7H2,1H3,(H,13,14,15)/t8-,9?/m1/s1
InChIKeyRHFRHJSCYDRNPG-VEDVMXKPSA-N
MW237.31 g/mol
LogP0.45
Rot. Bonds2

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

(3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102797516) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102797516
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESC[C@@H]1CN(c2n[nH]c(C3CCCO3)n2)CCN1
InChIInChI=1S/C11H19N5O/c1-8-7-16(5-4-12-8)11-13-10(14-15-11)9-3-2-6-17-9/h8-9,12H,2-7H2,1H3,(H,13,14,15)/t8-,9?/m1/s1
InChIKeyRHFRHJSCYDRNPG-VEDVMXKPSA-N
XLogP0.45
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine
CID 167829844
1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794159
(3S)-1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797916
1-[5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 107176924
(3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 107176930
3-methyl-1-[5-(oxan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798480
(3S)-3-methyl-1-[5-(oxan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798140
1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799155
(3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797674
1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798474
(3R)-1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797726
3-methylsulfanyl-5-(oxolan-2-yl)-1H-1,2,4-triazole
CID 130719874

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of (3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102797516) is (3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for (3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for (3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine is C[C@@H]1CN(c2n[nH]c(C3CCCO3)n2)CCN1.
What is the InChIKey of (3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is RHFRHJSCYDRNPG-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-7-16(5-4-12-8)11-13-10(14-15-11)9-3-2-6-17-9/h8-9,12H,2-7H2,1H3,(H,13,14,15)/t8-,9?/m1/s1.
What are the key properties of (3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine?
(3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 237.31 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102797516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).