5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one

C13H19N3O2 — CID 82375668

IUPAC5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one
SMILESCN1c2coc(N)c2NC(=O)C1C1CCCCC1
InChIInChI=1S/C13H19N3O2/c1-16-9-7-18-12(14)10(9)15-13(17)11(16)8-5-3-2-4-6-8/h7-8,11H,2-6,14H2,1H3,(H,15,17)
InChIKeyPPGSEMKZLXKQHB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.20
Rot. Bonds1

About 5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one

5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one (PubChem CID 82375668) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one
PubChem CID82375668
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one
SMILESCN1c2coc(N)c2NC(=O)C1C1CCCCC1
InChIInChI=1S/C13H19N3O2/c1-16-9-7-18-12(14)10(9)15-13(17)11(16)8-5-3-2-4-6-8/h7-8,11H,2-6,14H2,1H3,(H,15,17)
InChIKeyPPGSEMKZLXKQHB-UHFFFAOYSA-N
XLogP2.20
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one
CID 82375669
7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one
CID 82375663
7-amino-1',4-dimethylspiro[1H-furo[3,4-b]pyrazine-3,4'-piperidine]-2-one
CID 82375664
7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-oxane]-2-one
CID 82375665
7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-2-one
CID 82375667
7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-piperidine]-2-one
CID 82375670
3-cyclopropyl-3,4-dihydro-1H-furo[2,3-b]pyrazin-2-one
CID 82376809
3-cyclopropyl-1-methyl-3,4-dihydro-2H-furo[2,3-b]pyrazine
CID 82377175
1-(3-cyclopropyl-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl)ethanone
CID 82377248
1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone
CID 82377256
1-(3-cyclohexyl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone
CID 82377257
1-Spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone
CID 82377261

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one?
The IUPAC name of 5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one (CID 82375668) is 5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one.
What is the SMILES notation for 5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one?
The canonical SMILES for 5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one is CN1c2coc(N)c2NC(=O)C1C1CCCCC1.
What is the InChIKey of 5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one?
The InChIKey is PPGSEMKZLXKQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-9-7-18-12(14)10(9)15-13(17)11(16)8-5-3-2-4-6-8/h7-8,11H,2-6,14H2,1H3,(H,15,17).
What are the key properties of 5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one?
5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one has a molecular weight of 249.31 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one is sourced from PubChem (CID 82375668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).