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

C9H14N2O — CID 102135082

IUPAC(3-ethyl-5,6-dimethylpyrazin-2-yl)methanol
SMILESCCc1nc(C)c(C)nc1CO
InChIInChI=1S/C9H14N2O/c1-4-8-9(5-12)11-7(3)6(2)10-8/h12H,4-5H2,1-3H3
InChIKeyPIOXQVYQOUSCHY-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.15
Rot. Bonds2

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

(3-ethyl-5,6-dimethylpyrazin-2-yl)methanol (PubChem CID 102135082) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (3-ethyl-5,6-dimethylpyrazin-2-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-5,6-dimethylpyrazin-2-yl)methanol
PubChem CID102135082
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(3-ethyl-5,6-dimethylpyrazin-2-yl)methanol
SMILESCCc1nc(C)c(C)nc1CO
InChIInChI=1S/C9H14N2O/c1-4-8-9(5-12)11-7(3)6(2)10-8/h12H,4-5H2,1-3H3
InChIKeyPIOXQVYQOUSCHY-UHFFFAOYSA-N
XLogP1.15
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5,6-dimethylpyrazin-2-yl)methanol?
The IUPAC name of (3-ethyl-5,6-dimethylpyrazin-2-yl)methanol (CID 102135082) is (3-ethyl-5,6-dimethylpyrazin-2-yl)methanol.
What is the SMILES notation for (3-ethyl-5,6-dimethylpyrazin-2-yl)methanol?
The canonical SMILES for (3-ethyl-5,6-dimethylpyrazin-2-yl)methanol is CCc1nc(C)c(C)nc1CO.
What is the InChIKey of (3-ethyl-5,6-dimethylpyrazin-2-yl)methanol?
The InChIKey is PIOXQVYQOUSCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-8-9(5-12)11-7(3)6(2)10-8/h12H,4-5H2,1-3H3.
What are the key properties of (3-ethyl-5,6-dimethylpyrazin-2-yl)methanol?
(3-ethyl-5,6-dimethylpyrazin-2-yl)methanol has a molecular weight of 166.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5,6-dimethylpyrazin-2-yl)methanol is sourced from PubChem (CID 102135082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).