[6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine

C13H13N3O3 — CID 66450197

IUPAC[6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine
SMILESNCc1cncc(OCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C13H13N3O3/c14-4-10-5-15-6-13(16-10)17-7-9-1-2-11-12(3-9)19-8-18-11/h1-3,5-6H,4,7-8,14H2
InChIKeyDAHZSAVYXWVFPK-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.24
Rot. Bonds4

About [6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine

[6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine (PubChem CID 66450197) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is [6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine
PubChem CID66450197
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name[6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine
SMILESNCc1cncc(OCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C13H13N3O3/c14-4-10-5-15-6-13(16-10)17-7-9-1-2-11-12(3-9)19-8-18-11/h1-3,5-6H,4,7-8,14H2
InChIKeyDAHZSAVYXWVFPK-UHFFFAOYSA-N
XLogP1.24
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine
CID 80859608
[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 63889462
[6-[(4-methoxyphenyl)methoxy]pyrazin-2-yl]methanamine
CID 66449624
[4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine
CID 81253350
2-(1,3-benzodioxol-5-ylmethoxy)-6-methylpyridine-4-carbothioamide
CID 114768074
[6-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]boronic acid
CID 118734752
6-(1,3-benzodioxol-5-ylmethoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80860215
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
bis(1,3-benzodioxol-5-ylmethyl) pyridine-3,5-dicarboxylate
CID 69355185
6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24710899
4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 95922877
(1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine
CID 83127599

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine (CID 66450197) is [6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine is NCc1cncc(OCc2ccc3c(c2)OCO3)n1.
What is the InChIKey of [6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine?
The InChIKey is DAHZSAVYXWVFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-4-10-5-15-6-13(16-10)17-7-9-1-2-11-12(3-9)19-8-18-11/h1-3,5-6H,4,7-8,14H2.
What are the key properties of [6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine?
[6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine has a molecular weight of 259.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 66450197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).