5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C13H11F3N6O — CID 56696238

IUPAC5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCN(C)c1nc2nonc2nc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H11F3N6O/c1-22(2)12-11(18-9-10(19-12)21-23-20-9)17-8-6-4-3-5-7(8)13(14,15)16/h3-6H,1-2H3,(H,17,18,20)
InChIKeyXZLNXUGORFBBAY-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.84
Rot. Bonds3

About 5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 56696238) has the molecular formula C13H11F3N6O and a molecular weight of 324.27 g/mol. Its IUPAC name is 5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID56696238
Molecular FormulaC13H11F3N6O
Molecular Weight324.27 g/mol
Exact Mass324.09
IUPAC Name5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCN(C)c1nc2nonc2nc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H11F3N6O/c1-22(2)12-11(18-9-10(19-12)21-23-20-9)17-8-6-4-3-5-7(8)13(14,15)16/h3-6H,1-2H3,(H,17,18,20)
InChIKeyXZLNXUGORFBBAY-UHFFFAOYSA-N
XLogP2.84
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 155291177
6-N-(2-methylphenyl)-5-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3099893
3-methyl-2-(trifluoromethyl)-5-N,6-N-bis[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazine-5,6-diamine
CID 142482631
5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80762862
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
CID 146200483
5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482627
2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62476740
5-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 135387146
5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 154629495
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702
5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66339922

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 56696238) is 5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CN(C)c1nc2nonc2nc1Nc1ccccc1C(F)(F)F.
What is the InChIKey of 5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is XZLNXUGORFBBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6O/c1-22(2)12-11(18-9-10(19-12)21-23-20-9)17-8-6-4-3-5-7(8)13(14,15)16/h3-6H,1-2H3,(H,17,18,20).
What are the key properties of 5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 324.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dimethyl-6-N-[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 56696238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).