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

C13H15ClFN5 — CID 64576849

IUPAC2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
SMILESNCC(c1c(F)cccc1Cl)N1CCn2cnnc2C1
InChIInChI=1S/C13H15ClFN5/c14-9-2-1-3-10(15)13(9)11(6-16)19-4-5-20-8-17-18-12(20)7-19/h1-3,8,11H,4-7,16H2
InChIKeyYXQBUFWNQONXPX-UHFFFAOYSA-N
MW295.75 g/mol
LogP1.59
Rot. Bonds3

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

2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine (PubChem CID 64576849) has the molecular formula C13H15ClFN5 and a molecular weight of 295.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
PubChem CID64576849
Molecular FormulaC13H15ClFN5
Molecular Weight295.75 g/mol
Exact Mass295.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
SMILESNCC(c1c(F)cccc1Cl)N1CCn2cnnc2C1
InChIInChI=1S/C13H15ClFN5/c14-9-2-1-3-10(15)13(9)11(6-16)19-4-5-20-8-17-18-12(20)7-19/h1-3,8,11H,4-7,16H2
InChIKeyYXQBUFWNQONXPX-UHFFFAOYSA-N
XLogP1.59
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-difluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
CID 64574955
2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine
CID 64574739
2-(4-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
CID 79969076
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)ethanamine
CID 64575514
2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
CID 79969075
2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
CID 64577658
2-[2-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanamine
CID 64580450
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine
CID 64576464
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 115559256
2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 16791427
2-(2-chloro-6-fluorophenyl)-2-(4,4-dimethylazepan-1-yl)ethanamine
CID 65283784

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine (CID 64576849) is 2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine is NCC(c1c(F)cccc1Cl)N1CCn2cnnc2C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine?
The InChIKey is YXQBUFWNQONXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN5/c14-9-2-1-3-10(15)13(9)11(6-16)19-4-5-20-8-17-18-12(20)7-19/h1-3,8,11H,4-7,16H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine?
2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine has a molecular weight of 295.75 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine is sourced from PubChem (CID 64576849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).