(5-methoxy-3,6-dimethylpyrazin-2-yl)methanol

C8H12N2O2 — CID 58387225

IUPAC(5-methoxy-3,6-dimethylpyrazin-2-yl)methanol
SMILESCOc1nc(C)c(CO)nc1C
InChIInChI=1S/C8H12N2O2/c1-5-7(4-11)9-6(2)8(10-5)12-3/h11H,4H2,1-3H3
InChIKeySTRJQNXFOKEDBU-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.59
Rot. Bonds2

About (5-methoxy-3,6-dimethylpyrazin-2-yl)methanol

(5-methoxy-3,6-dimethylpyrazin-2-yl)methanol (PubChem CID 58387225) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (5-methoxy-3,6-dimethylpyrazin-2-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-3,6-dimethylpyrazin-2-yl)methanol
PubChem CID58387225
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(5-methoxy-3,6-dimethylpyrazin-2-yl)methanol
SMILESCOc1nc(C)c(CO)nc1C
InChIInChI=1S/C8H12N2O2/c1-5-7(4-11)9-6(2)8(10-5)12-3/h11H,4H2,1-3H3
InChIKeySTRJQNXFOKEDBU-UHFFFAOYSA-N
XLogP0.59
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3,6-dimethylpyrazin-2-yl)methanol?
The IUPAC name of (5-methoxy-3,6-dimethylpyrazin-2-yl)methanol (CID 58387225) is (5-methoxy-3,6-dimethylpyrazin-2-yl)methanol.
What is the SMILES notation for (5-methoxy-3,6-dimethylpyrazin-2-yl)methanol?
The canonical SMILES for (5-methoxy-3,6-dimethylpyrazin-2-yl)methanol is COc1nc(C)c(CO)nc1C.
What is the InChIKey of (5-methoxy-3,6-dimethylpyrazin-2-yl)methanol?
The InChIKey is STRJQNXFOKEDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-7(4-11)9-6(2)8(10-5)12-3/h11H,4H2,1-3H3.
What are the key properties of (5-methoxy-3,6-dimethylpyrazin-2-yl)methanol?
(5-methoxy-3,6-dimethylpyrazin-2-yl)methanol has a molecular weight of 168.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3,6-dimethylpyrazin-2-yl)methanol is sourced from PubChem (CID 58387225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).