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

C12H13N3O2 — CID 62683655

IUPAC[4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol
SMILESNCc1nccnc1Oc1ccc(CO)cc1
InChIInChI=1S/C12H13N3O2/c13-7-11-12(15-6-5-14-11)17-10-3-1-9(8-16)2-4-10/h1-6,16H,7-8,13H2
InChIKeyKKFJCNVDFGLBFW-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.22
Rot. Bonds4

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

[4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol (PubChem CID 62683655) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is [4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol
PubChem CID62683655
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name[4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol
SMILESNCc1nccnc1Oc1ccc(CO)cc1
InChIInChI=1S/C12H13N3O2/c13-7-11-12(15-6-5-14-11)17-10-3-1-9(8-16)2-4-10/h1-6,16H,7-8,13H2
InChIKeyKKFJCNVDFGLBFW-UHFFFAOYSA-N
XLogP1.22
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
CID 107742464
[3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine
CID 62684336
[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
CID 107663628
3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one
CID 114571100
[4-[(3-methoxy-2-pyridinyl)oxy]phenyl]methanol
CID 113371155
[3-[3-(methoxymethyl)phenoxy]pyrazin-2-yl]methanamine
CID 63984754
[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541265
[3-(2-fluorophenoxy)pyrazin-2-yl]methanamine
CID 62672553
3-(4-ethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide
CID 135983592
2-ethyl-3-phenoxypyrazine
CID 141210121
2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile
CID 106485600
[3-(3-phenylpropoxy)pyrazin-2-yl]methanamine
CID 62684504

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol?
The IUPAC name of [4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol (CID 62683655) is [4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol.
What is the SMILES notation for [4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol?
The canonical SMILES for [4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol is NCc1nccnc1Oc1ccc(CO)cc1.
What is the InChIKey of [4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol?
The InChIKey is KKFJCNVDFGLBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-7-11-12(15-6-5-14-11)17-10-3-1-9(8-16)2-4-10/h1-6,16H,7-8,13H2.
What are the key properties of [4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol?
[4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol has a molecular weight of 231.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol is sourced from PubChem (CID 62683655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).