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

C14H21F3N4 — CID 102791477

IUPAC8-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c(C3CCCC(C(F)(F)F)C3)nnc21
InChIInChI=1S/C14H21F3N4/c1-2-11-13-20-19-12(21(13)7-6-18-11)9-4-3-5-10(8-9)14(15,16)17/h9-11,18H,2-8H2,1H3
InChIKeyUHTUOAMIEKQIQW-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.17
Rot. Bonds2

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

8-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791477) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 8-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791477
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name8-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c(C3CCCC(C(F)(F)F)C3)nnc21
InChIInChI=1S/C14H21F3N4/c1-2-11-13-20-19-12(21(13)7-6-18-11)9-4-3-5-10(8-9)14(15,16)17/h9-11,18H,2-8H2,1H3
InChIKeyUHTUOAMIEKQIQW-UHFFFAOYSA-N
XLogP3.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791477) is 8-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCC1NCCn2c(C3CCCC(C(F)(F)F)C3)nnc21.
What is the InChIKey of 8-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is UHTUOAMIEKQIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-2-11-13-20-19-12(21(13)7-6-18-11)9-4-3-5-10(8-9)14(15,16)17/h9-11,18H,2-8H2,1H3.
What are the key properties of 8-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 302.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).