8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C11H17F3N4O — CID 103217900

IUPAC8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC1NCCn2c(COCC(F)(F)F)nnc21
InChIInChI=1S/C11H17F3N4O/c1-2-3-8-10-17-16-9(18(10)5-4-15-8)6-19-7-11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyOZJYJAIERQUFRW-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.80
Rot. Bonds5

About 8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 103217900) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID103217900
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC1NCCn2c(COCC(F)(F)F)nnc21
InChIInChI=1S/C11H17F3N4O/c1-2-3-8-10-17-16-9(18(10)5-4-15-8)6-19-7-11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyOZJYJAIERQUFRW-UHFFFAOYSA-N
XLogP1.80
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

2-(methoxymethyl)-5H,6H,7H,8H-(1,2,4)triazolo(1,5-a)pyridin-6-amine
CID 71755965
(1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine
CID 96850208
(2S)-2-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}pyrrolidine dihydrochloride
CID 155973468
(2R)-2-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}pyrrolidine dihydrochloride
CID 155973738
2-(methoxymethyl)-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 71756040
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86772319
1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
CID 110210749
5-Methoxy-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 118136391
5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 118136394
5-Ethyl-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 118155534
Ethane;8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 142940386
(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propan-2-ol
CID 153311225

Frequently Asked Questions

What is the IUPAC name of 8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 103217900) is 8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCCC1NCCn2c(COCC(F)(F)F)nnc21.
What is the InChIKey of 8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is OZJYJAIERQUFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-2-3-8-10-17-16-9(18(10)5-4-15-8)6-19-7-11(12,13)14/h8,15H,2-7H2,1H3.
What are the key properties of 8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 278.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 103217900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).