[3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine

C16H20N4O — CID 62911298

IUPAC[3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine
SMILESNCc1nccnc1OC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H20N4O/c17-10-15-16(19-8-7-18-15)21-14-6-9-20(12-14)11-13-4-2-1-3-5-13/h1-5,7-8,14H,6,9-12,17H2
InChIKeyYIFQCSVPERRVNF-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.59
Rot. Bonds5

About [3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine

[3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine (PubChem CID 62911298) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine
PubChem CID62911298
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine
SMILESNCc1nccnc1OC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H20N4O/c17-10-15-16(19-8-7-18-15)21-14-6-9-20(12-14)11-13-4-2-1-3-5-13/h1-5,7-8,14H,6,9-12,17H2
InChIKeyYIFQCSVPERRVNF-UHFFFAOYSA-N
XLogP1.59
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzylpyrrolidin-3-yl)oxypyridin-3-amine
CID 62911300
4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine
CID 80879763
2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine
CID 115474532
2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine
CID 66281326
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine
CID 62918212
2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
CID 62916852
6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine
CID 68875331
4-(1-benzylpyrrolidin-3-yl)oxybenzonitrile
CID 62917204
8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine
CID 22254574

Frequently Asked Questions

What is the IUPAC name of [3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine?
The IUPAC name of [3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine (CID 62911298) is [3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine?
The canonical SMILES for [3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine is NCc1nccnc1OC1CCN(Cc2ccccc2)C1.
What is the InChIKey of [3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine?
The InChIKey is YIFQCSVPERRVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-10-15-16(19-8-7-18-15)21-14-6-9-20(12-14)11-13-4-2-1-3-5-13/h1-5,7-8,14H,6,9-12,17H2.
What are the key properties of [3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine?
[3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine has a molecular weight of 284.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine is sourced from PubChem (CID 62911298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).