[1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine

C12H18F3N5 — CID 115449084

IUPAC[1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine
SMILESNCC1(CN2CCn3c(nnc3C(F)(F)F)C2)CCC1
InChIInChI=1S/C12H18F3N5/c13-12(14,15)10-18-17-9-6-19(4-5-20(9)10)8-11(7-16)2-1-3-11/h1-8,16H2
InChIKeyZNTSRAKMXTVVLH-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.24
Rot. Bonds3

About [1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine

[1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine (PubChem CID 115449084) has the molecular formula C12H18F3N5 and a molecular weight of 289.30 g/mol. Its IUPAC name is [1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine
PubChem CID115449084
Molecular FormulaC12H18F3N5
Molecular Weight289.30 g/mol
Exact Mass289.15
IUPAC Name[1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine
SMILESNCC1(CN2CCn3c(nnc3C(F)(F)F)C2)CCC1
InChIInChI=1S/C12H18F3N5/c13-12(14,15)10-18-17-9-6-19(4-5-20(9)10)8-11(7-16)2-1-3-11/h1-8,16H2
InChIKeyZNTSRAKMXTVVLH-UHFFFAOYSA-N
XLogP1.24
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[1-(bromomethyl)cyclobutyl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 65009377
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
CID 64579223
7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64576024
[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thian-4-yl]methanamine
CID 64575512
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine
CID 115449085
2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-amine
CID 64578269
[1-(aminomethyl)cyclobutyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 80591641
1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol
CID 64819804
7-(4-bromobutyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64580179
7-benzyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 90906313
[1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 119798587
[5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]thiophen-2-yl]methanamine
CID 107557012

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine (CID 115449084) is [1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine is NCC1(CN2CCn3c(nnc3C(F)(F)F)C2)CCC1.
What is the InChIKey of [1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine?
The InChIKey is ZNTSRAKMXTVVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c13-12(14,15)10-18-17-9-6-19(4-5-20(9)10)8-11(7-16)2-1-3-11/h1-8,16H2.
What are the key properties of [1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine?
[1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine has a molecular weight of 289.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclobutyl]methanamine is sourced from PubChem (CID 115449084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).