3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C13H15FN4 — CID 62585918

IUPAC3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccc(F)c(-c2nnc3n2CCNC3C)c1
InChIInChI=1S/C13H15FN4/c1-8-3-4-11(14)10(7-8)13-17-16-12-9(2)15-5-6-18(12)13/h3-4,7,9,15H,5-6H2,1-2H3
InChIKeyIDLXWTZLFJIREM-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.06
Rot. Bonds1

About 3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 62585918) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID62585918
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccc(F)c(-c2nnc3n2CCNC3C)c1
InChIInChI=1S/C13H15FN4/c1-8-3-4-11(14)10(7-8)13-17-16-12-9(2)15-5-6-18(12)13/h3-4,7,9,15H,5-6H2,1-2H3
InChIKeyIDLXWTZLFJIREM-UHFFFAOYSA-N
XLogP2.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 62585918) is 3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Cc1ccc(F)c(-c2nnc3n2CCNC3C)c1.
What is the InChIKey of 3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is IDLXWTZLFJIREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-8-3-4-11(14)10(7-8)13-17-16-12-9(2)15-5-6-18(12)13/h3-4,7,9,15H,5-6H2,1-2H3.
What are the key properties of 3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 246.29 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 62585918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).