N-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine

C12H20F3N5 — CID 64574866

IUPACN-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine
SMILESCCNC(C)CCN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H20F3N5/c1-3-16-9(2)4-5-19-6-7-20-10(8-19)17-18-11(20)12(13,14)15/h9,16H,3-8H2,1-2H3
InChIKeyLUAKNYHLLYYKQK-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.50
Rot. Bonds5

About N-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine

N-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine (PubChem CID 64574866) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is N-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine
PubChem CID64574866
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC NameN-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine
SMILESCCNC(C)CCN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H20F3N5/c1-3-16-9(2)4-5-19-6-7-20-10(8-19)17-18-11(20)12(13,14)15/h9,16H,3-8H2,1-2H3
InChIKeyLUAKNYHLLYYKQK-UHFFFAOYSA-N
XLogP1.50
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Trifluoromethyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrazine
CID 10176489
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
CID 11961371
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 51606505
3-ethyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 45088313
3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 52911275
3-(difluoromethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62587166
3-(2,2,2-trifluoroethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62588062
3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987769
3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987852
1-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethan-1-amine
CID 71695363
4-(3,5-Dimethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 44721353

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine?
The IUPAC name of N-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine (CID 64574866) is N-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine?
The canonical SMILES for N-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine is CCNC(C)CCN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of N-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine?
The InChIKey is LUAKNYHLLYYKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c1-3-16-9(2)4-5-19-6-7-20-10(8-19)17-18-11(20)12(13,14)15/h9,16H,3-8H2,1-2H3.
What are the key properties of N-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine?
N-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine has a molecular weight of 291.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine is sourced from PubChem (CID 64574866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).