2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine

C10H16N2O — CID 45099786

IUPAC2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine
SMILESCOc1nc(C)c(C)nc1C(C)C
InChIInChI=1S/C10H16N2O/c1-6(2)9-10(13-5)12-8(4)7(3)11-9/h6H,1-5H3
InChIKeyIIAWZEWLMSEQTH-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.23
Rot. Bonds2

About 2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine

2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine (PubChem CID 45099786) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine
PubChem CID45099786
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine
SMILESCOc1nc(C)c(C)nc1C(C)C
InChIInChI=1S/C10H16N2O/c1-6(2)9-10(13-5)12-8(4)7(3)11-9/h6H,1-5H3
InChIKeyIIAWZEWLMSEQTH-UHFFFAOYSA-N
XLogP2.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine?
The IUPAC name of 2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine (CID 45099786) is 2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine.
What is the SMILES notation for 2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine?
The canonical SMILES for 2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine is COc1nc(C)c(C)nc1C(C)C.
What is the InChIKey of 2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine?
The InChIKey is IIAWZEWLMSEQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)9-10(13-5)12-8(4)7(3)11-9/h6H,1-5H3.
What are the key properties of 2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine?
2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine has a molecular weight of 180.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5,6-dimethyl-3-propan-2-ylpyrazine is sourced from PubChem (CID 45099786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).