[4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol

C13H15N3O3 — CID 107742464

IUPAC[4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1Oc1nccnc1CN
InChIInChI=1S/C13H15N3O3/c1-18-12-6-9(8-17)2-3-11(12)19-13-10(7-14)15-4-5-16-13/h2-6,17H,7-8,14H2,1H3
InChIKeyWOYSFGIQVABHFH-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.23
Rot. Bonds5

About [4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol

[4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol (PubChem CID 107742464) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is [4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
PubChem CID107742464
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name[4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1Oc1nccnc1CN
InChIInChI=1S/C13H15N3O3/c1-18-12-6-9(8-17)2-3-11(12)19-13-10(7-14)15-4-5-16-13/h2-6,17H,7-8,14H2,1H3
InChIKeyWOYSFGIQVABHFH-UHFFFAOYSA-N
XLogP1.23
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxy-4-pyrazolo[1,5-a]pyrazin-4-yloxyphenyl)methanol
CID 107743880
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
(3-methoxy-4-pyridin-2-yloxyphenyl)methanol
CID 103610323
[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107745155
[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol
CID 107743821
[4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107745258
3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid
CID 107744881
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
CID 107742492
[4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
CID 107744185
[4-(5,6-dimethylpyrazin-2-yl)oxy-3-methoxyphenyl]methanol
CID 107744072
[4-(1-aminopropan-2-yloxy)-3-methoxyphenyl]methanol
CID 107742816

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol?
The IUPAC name of [4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol (CID 107742464) is [4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol is COc1cc(CO)ccc1Oc1nccnc1CN.
What is the InChIKey of [4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol?
The InChIKey is WOYSFGIQVABHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-18-12-6-9(8-17)2-3-11(12)19-13-10(7-14)15-4-5-16-13/h2-6,17H,7-8,14H2,1H3.
What are the key properties of [4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol?
[4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol has a molecular weight of 261.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol is sourced from PubChem (CID 107742464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).