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

C11H7F3N6O2 — CID 169155542

IUPAC5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESNc1nc2nonc2nc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H7F3N6O2/c12-11(13,14)21-6-3-1-5(2-4-6)16-8-7(15)17-9-10(18-8)20-22-19-9/h1-4H,(H2,15,17,19)(H,16,18,20)
InChIKeySTFPSKMNAACTDY-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.24
Rot. Bonds3

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

5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 169155542) has the molecular formula C11H7F3N6O2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID169155542
Molecular FormulaC11H7F3N6O2
Molecular Weight312.21 g/mol
Exact Mass312.06
IUPAC Name5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESNc1nc2nonc2nc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H7F3N6O2/c12-11(13,14)21-6-3-1-5(2-4-6)16-8-7(15)17-9-10(18-8)20-22-19-9/h1-4H,(H2,15,17,19)(H,16,18,20)
InChIKeySTFPSKMNAACTDY-UHFFFAOYSA-N
XLogP2.24
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 2844516
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157
5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 3381891
5-N-(3-chlorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 169155527
5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 1385785
5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
CID 104532253
5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 155560200
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2,4,6-trichloropyrimidine;4-(trifluoromethoxy)aniline
CID 159576870
3-methyl-5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
CID 142482647
3-N-[4-(trifluoromethoxy)phenyl]benzene-1,3-diamine
CID 43245746
5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 79075532

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 169155542) is 5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Nc1nc2nonc2nc1Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is STFPSKMNAACTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6O2/c12-11(13,14)21-6-3-1-5(2-4-6)16-8-7(15)17-9-10(18-8)20-22-19-9/h1-4H,(H2,15,17,19)(H,16,18,20).
What are the key properties of 5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 312.21 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 169155542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).