3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride

C6H4ClF3N4 — CID 67240883

IUPAC3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCl.FC(F)(F)c1nnc2cnccn12
InChIInChI=1S/C6H3F3N4.ClH/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;/h1-3H;1H
InChIKeyPVKBPPNUBNRDQY-UHFFFAOYSA-N
MW224.57 g/mol
LogP1.56
Rot. Bonds

About 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride

3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (PubChem CID 67240883) has the molecular formula C6H4ClF3N4 and a molecular weight of 224.57 g/mol. Its IUPAC name is 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
PubChem CID67240883
Molecular FormulaC6H4ClF3N4
Molecular Weight224.57 g/mol
Exact Mass224.01
IUPAC Name3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCl.FC(F)(F)c1nnc2cnccn12
InChIInChI=1S/C6H3F3N4.ClH/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;/h1-3H;1H
InChIKeyPVKBPPNUBNRDQY-UHFFFAOYSA-N
XLogP1.56
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.57
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 325200
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CID 325678
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CID 10220126
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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (CID 67240883) is 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is Cl.FC(F)(F)c1nnc2cnccn12.
What is the InChIKey of 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The InChIKey is PVKBPPNUBNRDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4.ClH/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;/h1-3H;1H.
What are the key properties of 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride has a molecular weight of 224.57 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is sourced from PubChem (CID 67240883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).