7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one

C12H17N3O2 — CID 82375663

IUPAC7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one
SMILESCN1c2coc(N)c2NC(=O)C12CCCCC2
InChIInChI=1S/C12H17N3O2/c1-15-8-7-17-10(13)9(8)14-11(16)12(15)5-3-2-4-6-12/h7H,2-6,13H2,1H3,(H,14,16)
InChIKeyMIDJHROGOPVJNN-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.95
Rot. Bonds

About 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one

7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one (PubChem CID 82375663) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one
PubChem CID82375663
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one
SMILESCN1c2coc(N)c2NC(=O)C12CCCCC2
InChIInChI=1S/C12H17N3O2/c1-15-8-7-17-10(13)9(8)14-11(16)12(15)5-3-2-4-6-12/h7H,2-6,13H2,1H3,(H,14,16)
InChIKeyMIDJHROGOPVJNN-UHFFFAOYSA-N
XLogP1.95
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.95
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-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-3,4'-thiane]-2-one
CID 82375666
7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-2-one
CID 82375667
5-Amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one
CID 82375668
7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-piperidine]-2-one
CID 82375670
1'-Acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one
CID 82375678
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
1-[2-(2-methylpropyl)-3,4-dihydro-2H-furo[2,3-b]pyrazin-1-yl]ethanone
CID 82392172
(2R)-2-(2-methylpropyl)-2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one
CID 95976702

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one?
The IUPAC name of 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one (CID 82375663) is 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one?
The canonical SMILES for 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one is CN1c2coc(N)c2NC(=O)C12CCCCC2.
What is the InChIKey of 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one?
The InChIKey is MIDJHROGOPVJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15-8-7-17-10(13)9(8)14-11(16)12(15)5-3-2-4-6-12/h7H,2-6,13H2,1H3,(H,14,16).
What are the key properties of 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one?
7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one has a molecular weight of 235.29 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 82375663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).