6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C14H11F3N4O — CID 134555591

IUPAC6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOCc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1
InChIInChI=1S/C14H11F3N4O/c1-22-8-9-2-4-10(5-3-9)11-7-21-12(6-18-11)19-20-13(21)14(15,16)17/h2-7H,8H2,1H3
InChIKeyUDMNJRLZBNHTBK-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.96
Rot. Bonds3

About 6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134555591) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134555591
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOCc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1
InChIInChI=1S/C14H11F3N4O/c1-22-8-9-2-4-10(5-3-9)11-7-21-12(6-18-11)19-20-13(21)14(15,16)17/h2-7H,8H2,1H3
InChIKeyUDMNJRLZBNHTBK-UHFFFAOYSA-N
XLogP2.96
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 134555591) is 6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is COCc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1.
What is the InChIKey of 6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is UDMNJRLZBNHTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c1-22-8-9-2-4-10(5-3-9)11-7-21-12(6-18-11)19-20-13(21)14(15,16)17/h2-7H,8H2,1H3.
What are the key properties of 6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 308.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134555591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).