2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine

C17H13F3N4O2 — CID 57328465

IUPAC2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine
SMILESNc1cncc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)26-14-7-5-13(6-8-14)25-12-3-1-11(2-4-12)23-16-10-22-9-15(21)24-16/h1-10H,(H3,21,23,24)
InChIKeyYBPKUYHMTYRITD-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.49
Rot. Bonds5

About 2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine

2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine (PubChem CID 57328465) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine
PubChem CID57328465
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine
SMILESNc1cncc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)26-14-7-5-13(6-8-14)25-12-3-1-11(2-4-12)23-16-10-22-9-15(21)24-16/h1-10H,(H3,21,23,24)
InChIKeyYBPKUYHMTYRITD-UHFFFAOYSA-N
XLogP4.49
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine?
The IUPAC name of 2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine (CID 57328465) is 2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine is Nc1cncc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1.
What is the InChIKey of 2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine?
The InChIKey is YBPKUYHMTYRITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)26-14-7-5-13(6-8-14)25-12-3-1-11(2-4-12)23-16-10-22-9-15(21)24-16/h1-10H,(H3,21,23,24).
What are the key properties of 2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine?
2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine has a molecular weight of 362.31 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine is sourced from PubChem (CID 57328465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).