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

C13H13F3N4O — CID 80768969

IUPAC6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C13H13F3N4O/c1-2-18-11-7-17-8-12(20-11)19-9-3-5-10(6-4-9)21-13(14,15)16/h3-8H,2H2,1H3,(H2,18,19,20)
InChIKeyMKQQKUJNWZOXLV-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.55
Rot. Bonds5

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

6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine (PubChem CID 80768969) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine
PubChem CID80768969
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C13H13F3N4O/c1-2-18-11-7-17-8-12(20-11)19-9-3-5-10(6-4-9)21-13(14,15)16/h3-8H,2H2,1H3,(H2,18,19,20)
InChIKeyMKQQKUJNWZOXLV-UHFFFAOYSA-N
XLogP3.55
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80763352
6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine
CID 80761835
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845
6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 118101423
2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80843376
2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 80799502
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 118094600
6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine
CID 114258187
6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine
CID 80851533
2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80755020
N-heptyl-4-(trifluoromethoxy)aniline
CID 43129251

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine (CID 80768969) is 6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine is CCNc1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine?
The InChIKey is MKQQKUJNWZOXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-2-18-11-7-17-8-12(20-11)19-9-3-5-10(6-4-9)21-13(14,15)16/h3-8H,2H2,1H3,(H2,18,19,20).
What are the key properties of 6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine?
6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine has a molecular weight of 298.27 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine is sourced from PubChem (CID 80768969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).