4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol

C12H13N3O — CID 114332604

IUPAC4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol
SMILESCc1nccnc1NCc1ccc(O)cc1
InChIInChI=1S/C12H13N3O/c1-9-12(14-7-6-13-9)15-8-10-2-4-11(16)5-3-10/h2-7,16H,8H2,1H3,(H,14,15)
InChIKeyOKIYVYAEYBNXFS-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.10
Rot. Bonds3

About 4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol

4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol (PubChem CID 114332604) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol
PubChem CID114332604
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol
SMILESCc1nccnc1NCc1ccc(O)cc1
InChIInChI=1S/C12H13N3O/c1-9-12(14-7-6-13-9)15-8-10-2-4-11(16)5-3-10/h2-7,16H,8H2,1H3,(H,14,15)
InChIKeyOKIYVYAEYBNXFS-UHFFFAOYSA-N
XLogP2.10
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 83063577
4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol
CID 113442355
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazin-2-amine
CID 83064247
3-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 83065242
3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile
CID 115605243
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine
CID 83062801
4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol
CID 137154151
4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol
CID 114332578
4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196702
4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539932
4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol
CID 113245585

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol (CID 114332604) is 4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol is Cc1nccnc1NCc1ccc(O)cc1.
What is the InChIKey of 4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol?
The InChIKey is OKIYVYAEYBNXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-12(14-7-6-13-9)15-8-10-2-4-11(16)5-3-10/h2-7,16H,8H2,1H3,(H,14,15).
What are the key properties of 4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol?
4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol has a molecular weight of 215.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol is sourced from PubChem (CID 114332604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).