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

C16H23N5 — CID 64576858

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(CN1CCn2cnnc2C1)c1ccccc1C
InChIInChI=1S/C16H23N5/c1-3-17-15(14-7-5-4-6-13(14)2)10-20-8-9-21-12-18-19-16(21)11-20/h4-7,12,15,17H,3,8-11H2,1-2H3
InChIKeyYOMDXLBKIRNXNI-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.75
Rot. Bonds5

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine (PubChem CID 64576858) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine
PubChem CID64576858
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(CN1CCn2cnnc2C1)c1ccccc1C
InChIInChI=1S/C16H23N5/c1-3-17-15(14-7-5-4-6-13(14)2)10-20-8-9-21-12-18-19-16(21)11-20/h4-7,12,15,17H,3,8-11H2,1-2H3
InChIKeyYOMDXLBKIRNXNI-UHFFFAOYSA-N
XLogP1.75
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine (CID 64576858) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine is CCNC(CN1CCn2cnnc2C1)c1ccccc1C.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The InChIKey is YOMDXLBKIRNXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-17-15(14-7-5-4-6-13(14)2)10-20-8-9-21-12-18-19-16(21)11-20/h4-7,12,15,17H,3,8-11H2,1-2H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 64576858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).