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

C14H8F6N4O — CID 134555663

IUPAC6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)F)nnc2cn1
InChIInChI=1S/C14H8F6N4O/c1-7-4-8(25-14(18,19)20)2-3-9(7)10-6-24-11(5-21-10)22-23-12(24)13(15,16)17/h2-6H,1H3
InChIKeyJYMNTFNBDYEAOQ-UHFFFAOYSA-N
MW362.23 g/mol
LogP4.02
Rot. Bonds2

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

6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134555663) has the molecular formula C14H8F6N4O and a molecular weight of 362.23 g/mol. Its IUPAC name is 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134555663
Molecular FormulaC14H8F6N4O
Molecular Weight362.23 g/mol
Exact Mass362.06
IUPAC Name6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)F)nnc2cn1
InChIInChI=1S/C14H8F6N4O/c1-7-4-8(25-14(18,19)20)2-3-9(7)10-6-24-11(5-21-10)22-23-12(24)13(15,16)17/h2-6H,1H3
InChIKeyJYMNTFNBDYEAOQ-UHFFFAOYSA-N
XLogP4.02
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 134555663) is 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)F)nnc2cn1.
What is the InChIKey of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is JYMNTFNBDYEAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N4O/c1-7-4-8(25-14(18,19)20)2-3-9(7)10-6-24-11(5-21-10)22-23-12(24)13(15,16)17/h2-6H,1H3.
What are the key properties of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 362.23 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134555663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).