[3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine

C13H21N5O — CID 63171483

IUPAC[3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine
SMILESNCc1nccnc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C13H21N5O/c14-9-12-13(16-3-2-15-12)18-4-1-11(10-18)17-5-7-19-8-6-17/h2-3,11H,1,4-10,14H2
InChIKeySCJQPICIPXRBQJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.15
Rot. Bonds3

About [3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine

[3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine (PubChem CID 63171483) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine
PubChem CID63171483
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name[3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine
SMILESNCc1nccnc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C13H21N5O/c14-9-12-13(16-3-2-15-12)18-4-1-11(10-18)17-5-7-19-8-6-17/h2-3,11H,1,4-10,14H2
InChIKeySCJQPICIPXRBQJ-UHFFFAOYSA-N
XLogP-0.15
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine (CID 63171483) is [3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine is NCc1nccnc1N1CCC(N2CCOCC2)C1.
What is the InChIKey of [3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine?
The InChIKey is SCJQPICIPXRBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c14-9-12-13(16-3-2-15-12)18-4-1-11(10-18)17-5-7-19-8-6-17/h2-3,11H,1,4-10,14H2.
What are the key properties of [3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine?
[3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine has a molecular weight of 263.34 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 63171483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).