1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole

C11H20N4 — CID 155175839

IUPAC1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole
SMILESCN1CCC[C@@H]1c1cn(C(C)(C)C)nn1
InChIInChI=1S/C11H20N4/c1-11(2,3)15-8-9(12-13-15)10-6-5-7-14(10)4/h8,10H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyLLYKQGJVJBQZQL-SNVBAGLBSA-N
MW208.31 g/mol
LogP1.80
Rot. Bonds1

About 1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole

1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole (PubChem CID 155175839) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole.

Molecular Properties

Compound Name1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole
PubChem CID155175839
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole
SMILESCN1CCC[C@@H]1c1cn(C(C)(C)C)nn1
InChIInChI=1S/C11H20N4/c1-11(2,3)15-8-9(12-13-15)10-6-5-7-14(10)4/h8,10H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyLLYKQGJVJBQZQL-SNVBAGLBSA-N
XLogP1.80
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole
CID 155175844
2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117129579
5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine
CID 117105735
4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
CID 143153913
5-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 97304838
4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine
CID 115013289
2-(3,5-ditert-butylphenyl)-1-methylpyrrolidine
CID 102300432
6-(1-methylpiperidin-2-yl)pyridazin-3-amine
CID 117105860
2-bromo-6-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 124641952
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530
8-methyl-2-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117157877
4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
CID 124987095

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole?
The IUPAC name of 1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole (CID 155175839) is 1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole.
What is the SMILES notation for 1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole?
The canonical SMILES for 1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole is CN1CCC[C@@H]1c1cn(C(C)(C)C)nn1.
What is the InChIKey of 1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole?
The InChIKey is LLYKQGJVJBQZQL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N4/c1-11(2,3)15-8-9(12-13-15)10-6-5-7-14(10)4/h8,10H,5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of 1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole?
1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole has a molecular weight of 208.31 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole is sourced from PubChem (CID 155175839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).