[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine

C12H10F3N3O — CID 62674108

IUPAC[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine
SMILESNCc1nccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)8-2-1-3-9(6-8)19-11-10(7-16)17-4-5-18-11/h1-6H,7,16H2
InChIKeyJAQPRHZGKVVBKQ-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.75
Rot. Bonds3

About [3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine

[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine (PubChem CID 62674108) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is [3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine
PubChem CID62674108
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine
SMILESNCc1nccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)8-2-1-3-9(6-8)19-11-10(7-16)17-4-5-18-11/h1-6H,7,16H2
InChIKeyJAQPRHZGKVVBKQ-UHFFFAOYSA-N
XLogP2.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)oxy]-2-pyrazinemethanamine
CID 122178902
4-[3-(Trifluoromethyl)phenoxy]-3-pyridinamine
CID 23723155
5-Isobutyl-3-methyl-2-phenoxypyrazine
CID 528137
3-[3-(Trifluoromethyl)phenoxy]pyrazine-2-carbonitrile
CID 2821109
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 2822034
4-[(6-Methylpyrazin-2-yl)oxy]benzylamine
CID 24229693
N-Methyl-4-[(6-methylpyrazin-2-yl)oxy]benzylamine
CID 24229697
3-Methyl-5-(3-methylpentyl)-2-phenoxypyrazine
CID 44327248
2-Phenoxy-5-propan-2-ylpyrazine
CID 44328027
N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 71970309
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 135983232
2-(2-phenoxyethoxy)-3-[(E)-2-phenylethenyl]pyrazine
CID 172436217

Frequently Asked Questions

What is the IUPAC name of [3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine?
The IUPAC name of [3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine (CID 62674108) is [3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine?
The canonical SMILES for [3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine is NCc1nccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine?
The InChIKey is JAQPRHZGKVVBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)8-2-1-3-9(6-8)19-11-10(7-16)17-4-5-18-11/h1-6H,7,16H2.
What are the key properties of [3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine?
[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine has a molecular weight of 269.23 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine is sourced from PubChem (CID 62674108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).