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

C14H16F2N4 — CID 102791569

IUPAC3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c(-c3cc(C)c(F)cc3F)nnc21
InChIInChI=1S/C14H16F2N4/c1-3-12-14-19-18-13(20(14)5-4-17-12)9-6-8(2)10(15)7-11(9)16/h6-7,12,17H,3-5H2,1-2H3
InChIKeyDUSXIEFNNVHBEW-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.59
Rot. Bonds2

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

3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791569) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791569
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c(-c3cc(C)c(F)cc3F)nnc21
InChIInChI=1S/C14H16F2N4/c1-3-12-14-19-18-13(20(14)5-4-17-12)9-6-8(2)10(15)7-11(9)16/h6-7,12,17H,3-5H2,1-2H3
InChIKeyDUSXIEFNNVHBEW-UHFFFAOYSA-N
XLogP2.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-difluorophenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791553
8-ethyl-3-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791526
8-ethyl-3-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791577
3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792595
8-ethyl-3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791537
3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585918
8-ethyl-3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791548
3-(3-fluoro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585909
3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 107195177
3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791629
3-(4-chloro-2-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 114028152
8-ethyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791574

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791569) is 3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCC1NCCn2c(-c3cc(C)c(F)cc3F)nnc21.
What is the InChIKey of 3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is DUSXIEFNNVHBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-3-12-14-19-18-13(20(14)5-4-17-12)9-6-8(2)10(15)7-11(9)16/h6-7,12,17H,3-5H2,1-2H3.
What are the key properties of 3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 278.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).