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

C13H20F3N5 — CID 64575892

IUPAC2-cyclopentyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine
SMILESNCC(C1CCCC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)12-19-18-11-8-20(5-6-21(11)12)10(7-17)9-3-1-2-4-9/h9-10H,1-8,17H2
InChIKeyMQIUQBKJRYDFKV-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.63
Rot. Bonds3

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

2-cyclopentyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine (PubChem CID 64575892) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-cyclopentyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine
PubChem CID64575892
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name2-cyclopentyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine
SMILESNCC(C1CCCC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)12-19-18-11-8-20(5-6-21(11)12)10(7-17)9-3-1-2-4-9/h9-10H,1-8,17H2
InChIKeyMQIUQBKJRYDFKV-UHFFFAOYSA-N
XLogP1.63
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine?
The IUPAC name of 2-cyclopentyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine (CID 64575892) is 2-cyclopentyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine?
The canonical SMILES for 2-cyclopentyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine is NCC(C1CCCC1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 2-cyclopentyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine?
The InChIKey is MQIUQBKJRYDFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c14-13(15,16)12-19-18-11-8-20(5-6-21(11)12)10(7-17)9-3-1-2-4-9/h9-10H,1-8,17H2.
What are the key properties of 2-cyclopentyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine?
2-cyclopentyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine has a molecular weight of 303.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine is sourced from PubChem (CID 64575892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).