[5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride

C12H11ClF3N3O — CID 69019121

IUPAC[5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride
SMILESCl.NCc1cnc(Oc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C12H10F3N3O.ClH/c13-12(14,15)8-1-3-10(4-2-8)19-11-7-17-9(5-16)6-18-11;/h1-4,6-7H,5,16H2;1H
InChIKeyORCSKECVICDHJW-UHFFFAOYSA-N
MW305.69 g/mol
LogP3.17
Rot. Bonds3

About [5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride

[5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride (PubChem CID 69019121) has the molecular formula C12H11ClF3N3O and a molecular weight of 305.69 g/mol. Its IUPAC name is [5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride
PubChem CID69019121
Molecular FormulaC12H11ClF3N3O
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name[5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride
SMILESCl.NCc1cnc(Oc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C12H10F3N3O.ClH/c13-12(14,15)8-1-3-10(4-2-8)19-11-7-17-9(5-16)6-18-11;/h1-4,6-7H,5,16H2;1H
InChIKeyORCSKECVICDHJW-UHFFFAOYSA-N
XLogP3.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride (CID 69019121) is [5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride is Cl.NCc1cnc(Oc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of [5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride?
The InChIKey is ORCSKECVICDHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O.ClH/c13-12(14,15)8-1-3-10(4-2-8)19-11-7-17-9(5-16)6-18-11;/h1-4,6-7H,5,16H2;1H.
What are the key properties of [5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride?
[5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride has a molecular weight of 305.69 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 69019121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).