3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine

C9H16N2O — CID 76801257

IUPAC3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=NCC(C)=NC1C(C)C
InChIInChI=1S/C9H16N2O/c1-6(2)8-9(12-4)10-5-7(3)11-8/h6,8H,5H2,1-4H3
InChIKeySXNAFTODZAMIKY-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.53
Rot. Bonds1

About 3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine

3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine (PubChem CID 76801257) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine
PubChem CID76801257
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=NCC(C)=NC1C(C)C
InChIInChI=1S/C9H16N2O/c1-6(2)8-9(12-4)10-5-7(3)11-8/h6,8H,5H2,1-4H3
InChIKeySXNAFTODZAMIKY-UHFFFAOYSA-N
XLogP1.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of 3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine (CID 76801257) is 3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for 3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for 3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine is COC1=NCC(C)=NC1C(C)C.
What is the InChIKey of 3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is SXNAFTODZAMIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(2)8-9(12-4)10-5-7(3)11-8/h6,8H,5H2,1-4H3.
What are the key properties of 3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine?
3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 168.24 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-2-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 76801257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).