4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline

C15H10F3N5O — CID 175082309

IUPAC4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2nccnc2-c2cnccn2)cc1C(F)(F)F
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)10-7-9(1-2-11(10)19)24-14-13(22-5-6-23-14)12-8-20-3-4-21-12/h1-8H,19H2
InChIKeyJFZTWZDNPCNNRX-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.33
Rot. Bonds3

About 4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline

4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline (PubChem CID 175082309) has the molecular formula C15H10F3N5O and a molecular weight of 333.27 g/mol. Its IUPAC name is 4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline
PubChem CID175082309
Molecular FormulaC15H10F3N5O
Molecular Weight333.27 g/mol
Exact Mass333.08
IUPAC Name4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2nccnc2-c2cnccn2)cc1C(F)(F)F
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)10-7-9(1-2-11(10)19)24-14-13(22-5-6-23-14)12-8-20-3-4-21-12/h1-8H,19H2
InChIKeyJFZTWZDNPCNNRX-UHFFFAOYSA-N
XLogP3.33
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine
CID 175080198
4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline
CID 175080300
5-pyrazin-2-yloxy-2-(trifluoromethyl)aniline
CID 166174097
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline
CID 26189930
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline
CID 106796453
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 103469823
4-(3-bromo-4-fluorophenoxy)-2-(trifluoromethyl)aniline
CID 83232506
2-pyrazin-2-yl-5-(trifluoromethyl)aniline
CID 114043499
4-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)aniline
CID 63647439
4-(2-bromoethoxy)-2-(trifluoromethyl)aniline
CID 168997372

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline (CID 175082309) is 4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline is Nc1ccc(Oc2nccnc2-c2cnccn2)cc1C(F)(F)F.
What is the InChIKey of 4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline?
The InChIKey is JFZTWZDNPCNNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O/c16-15(17,18)10-7-9(1-2-11(10)19)24-14-13(22-5-6-23-14)12-8-20-3-4-21-12/h1-8H,19H2.
What are the key properties of 4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline?
4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline has a molecular weight of 333.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline is sourced from PubChem (CID 175082309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).