5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one

C8H8F3N3O2 — CID 82375669

IUPAC5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one
SMILESCN1c2coc(N)c2NC(=O)C1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-14-3-2-16-6(12)4(3)13-7(15)5(14)8(9,10)11/h2,5H,12H2,1H3,(H,13,15)
InChIKeyVBZQFARAYZXQTR-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.18
Rot. Bonds

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

5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one (PubChem CID 82375669) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one
PubChem CID82375669
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one
SMILESCN1c2coc(N)c2NC(=O)C1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-14-3-2-16-6(12)4(3)13-7(15)5(14)8(9,10)11/h2,5H,12H2,1H3,(H,13,15)
InChIKeyVBZQFARAYZXQTR-UHFFFAOYSA-N
XLogP1.18
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methyl-11-propan-2-yl-5-(trifluoromethyl)-3-oxa-1,7,11-triazatricyclo[7.4.0.02,6]trideca-2(6),4-dien-8-one
CID 167173288
7-Methyl-11-prop-1-en-2-yl-5-(trifluoromethyl)-3-oxa-1,7,11-triazatricyclo[7.4.0.02,6]trideca-2(6),4-dien-8-one
CID 167173874
1,2,3,4-Tetrahydrofuro[2,3-b]pyrazine
CID 67258053
2-N,3-N,4-N-tributyl-2-N,3-N,4-N-trimethylfuran-2,3,4-triamine
CID 142692154
(9S)-11-propan-2-yl-3-oxa-1,7,11-triazatricyclo[7.4.0.02,6]trideca-2(6),4-dien-8-one
CID 172185595
(9R)-11-propan-2-yl-3-oxa-1,7,11-triazatricyclo[7.4.0.02,6]trideca-2(6),4-dien-8-one
CID 172185627
11-Propan-2-yl-3-oxa-1,7,11-triazatricyclo[7.4.0.02,6]trideca-2(6),4-dien-8-one
CID 172185747
2-N,3-N,4-N-trimethylfuran-2,3,4-triamine
CID 174474232
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-3,4'-thiane]-2-one
CID 82375666

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one?
The IUPAC name of 5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one (CID 82375669) is 5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one.
What is the SMILES notation for 5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one?
The canonical SMILES for 5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one is CN1c2coc(N)c2NC(=O)C1C(F)(F)F.
What is the InChIKey of 5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one?
The InChIKey is VBZQFARAYZXQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-14-3-2-16-6(12)4(3)13-7(15)5(14)8(9,10)11/h2,5H,12H2,1H3,(H,13,15).
What are the key properties of 5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one?
5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one has a molecular weight of 235.16 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one is sourced from PubChem (CID 82375669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).