2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine

C18H12F6N4 — CID 142482724

IUPAC2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine
SMILESFC(F)(F)c1cccc(Nc2nccnc2Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H12F6N4/c19-17(20,21)11-3-1-5-13(9-11)27-15-16(26-8-7-25-15)28-14-6-2-4-12(10-14)18(22,23)24/h1-10H,(H,25,27)(H,26,28)
InChIKeyGEPLTTVRYPTFQS-UHFFFAOYSA-N
MW398.31 g/mol
LogP6.00
Rot. Bonds4

About 2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine

2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine (PubChem CID 142482724) has the molecular formula C18H12F6N4 and a molecular weight of 398.31 g/mol. Its IUPAC name is 2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine
PubChem CID142482724
Molecular FormulaC18H12F6N4
Molecular Weight398.31 g/mol
Exact Mass398.10
IUPAC Name2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine
SMILESFC(F)(F)c1cccc(Nc2nccnc2Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H12F6N4/c19-17(20,21)11-3-1-5-13(9-11)27-15-16(26-8-7-25-15)28-14-6-2-4-12(10-14)18(22,23)24/h1-10H,(H,25,27)(H,26,28)
InChIKeyGEPLTTVRYPTFQS-UHFFFAOYSA-N
XLogP6.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.31
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine?
The IUPAC name of 2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine (CID 142482724) is 2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine is FC(F)(F)c1cccc(Nc2nccnc2Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine?
The InChIKey is GEPLTTVRYPTFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N4/c19-17(20,21)11-3-1-5-13(9-11)27-15-16(26-8-7-25-15)28-14-6-2-4-12(10-14)18(22,23)24/h1-10H,(H,25,27)(H,26,28).
What are the key properties of 2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine?
2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine has a molecular weight of 398.31 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis[3-(trifluoromethyl)phenyl]pyrazine-2,3-diamine is sourced from PubChem (CID 142482724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).