3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine

C9H16N2O2 — CID 3800909

IUPAC3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=NC(C(C)C)C(OC)=NC1
InChIInChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3
InChIKeyFCFWEOGTZZPCTO-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.11
Rot. Bonds1

About 3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine

3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine (PubChem CID 3800909) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine
PubChem CID3800909
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=NC(C(C)C)C(OC)=NC1
InChIInChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3
InChIKeyFCFWEOGTZZPCTO-UHFFFAOYSA-N
XLogP1.11
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of 3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine (CID 3800909) is 3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for 3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for 3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine is COC1=NC(C(C)C)C(OC)=NC1.
What is the InChIKey of 3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is FCFWEOGTZZPCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3.
What are the key properties of 3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine?
3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 184.24 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 3800909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).