5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole

C11H20N4 — CID 114688275

IUPAC5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole
SMILESCn1nncc1C1(C(C)(C)C)CCCN1
InChIInChI=1S/C11H20N4/c1-10(2,3)11(6-5-7-12-11)9-8-13-14-15(9)4/h8,12H,5-7H2,1-4H3
InChIKeyMTYPCALPDSFMDY-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.44
Rot. Bonds1

About 5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole

5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole (PubChem CID 114688275) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole.

Molecular Properties

Compound Name5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole
PubChem CID114688275
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole
SMILESCn1nncc1C1(C(C)(C)C)CCCN1
InChIInChI=1S/C11H20N4/c1-10(2,3)11(6-5-7-12-11)9-8-13-14-15(9)4/h8,12H,5-7H2,1-4H3
InChIKeyMTYPCALPDSFMDY-UHFFFAOYSA-N
XLogP1.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole
CID 114688277
5-(2-tert-butylpyrrolidin-2-yl)pyrimidine
CID 66466514
4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole
CID 66466975
2-(3-methyltriazol-4-yl)-2-propylazepane
CID 114688469
5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole
CID 114656492
2-tert-butyl-2-phenylpyrrolidine
CID 66465844
5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole
CID 114691723
2-tert-butyl-2-(furan-2-yl)pyrrolidine
CID 66466753
3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 114685035
2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine
CID 107513534
5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole
CID 114690669
2-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 106873715

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole?
The IUPAC name of 5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole (CID 114688275) is 5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole.
What is the SMILES notation for 5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole?
The canonical SMILES for 5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole is Cn1nncc1C1(C(C)(C)C)CCCN1.
What is the InChIKey of 5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole?
The InChIKey is MTYPCALPDSFMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10(2,3)11(6-5-7-12-11)9-8-13-14-15(9)4/h8,12H,5-7H2,1-4H3.
What are the key properties of 5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole?
5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole has a molecular weight of 208.31 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole is sourced from PubChem (CID 114688275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).