2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

C15H24BN3O2 — CID 66521391

IUPAC2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
SMILESCC1CCN(c2cnc(B3OC(C)(C)C(C)(C)O3)cn2)C1
InChIInChI=1S/C15H24BN3O2/c1-11-6-7-19(10-11)13-9-17-12(8-18-13)16-20-14(2,3)15(4,5)21-16/h8-9,11H,6-7,10H2,1-5H3
InChIKeyOAULRTFNIMJQAC-UHFFFAOYSA-N
MW289.19 g/mol
LogP1.62
Rot. Bonds2

About 2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (PubChem CID 66521391) has the molecular formula C15H24BN3O2 and a molecular weight of 289.19 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
PubChem CID66521391
Molecular FormulaC15H24BN3O2
Molecular Weight289.19 g/mol
Exact Mass289.20
IUPAC Name2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
SMILESCC1CCN(c2cnc(B3OC(C)(C)C(C)(C)O3)cn2)C1
InChIInChI=1S/C15H24BN3O2/c1-11-6-7-19(10-11)13-9-17-12(8-18-13)16-20-14(2,3)15(4,5)21-16/h8-9,11H,6-7,10H2,1-5H3
InChIKeyOAULRTFNIMJQAC-UHFFFAOYSA-N
XLogP1.62
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 175548647
2-[(3S)-3-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 99773616
(3R)-3-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine
CID 89449024
2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 171545633
tert-butyl 3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 174152561
2-(1-methylpiperidin-4-yl)oxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 90143591
N-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine
CID 163404755
3-methyl-2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 131481190
1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 53398492
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 53398566
[(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 99909001

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (CID 66521391) is 2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is CC1CCN(c2cnc(B3OC(C)(C)C(C)(C)O3)cn2)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The InChIKey is OAULRTFNIMJQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BN3O2/c1-11-6-7-19(10-11)13-9-17-12(8-18-13)16-20-14(2,3)15(4,5)21-16/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of 2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine has a molecular weight of 289.19 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is sourced from PubChem (CID 66521391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).