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

C15H21N5 — CID 64575724

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methyl-1-(2-methylphenyl)ethanamine
SMILESCNC(CN1CCn2cnnc2C1)c1ccccc1C
InChIInChI=1S/C15H21N5/c1-12-5-3-4-6-13(12)14(16-2)9-19-7-8-20-11-17-18-15(20)10-19/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyHXHGTGXVGWGVES-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.36
Rot. Bonds4

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methyl-1-(2-methylphenyl)ethanamine (PubChem CID 64575724) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methyl-1-(2-methylphenyl)ethanamine
PubChem CID64575724
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methyl-1-(2-methylphenyl)ethanamine
SMILESCNC(CN1CCn2cnnc2C1)c1ccccc1C
InChIInChI=1S/C15H21N5/c1-12-5-3-4-6-13(12)14(16-2)9-19-7-8-20-11-17-18-15(20)10-19/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyHXHGTGXVGWGVES-UHFFFAOYSA-N
XLogP1.36
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64576858
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol
CID 64578834
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine
CID 64575346
N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 55249395
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine
CID 64575529
7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64576294
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine
CID 64576410
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-one
CID 64577447
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N,2-dimethylpentan-1-amine
CID 64578275
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592756
1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one
CID 62880332
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)ethanamine
CID 64575514

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-methyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methyl-1-(2-methylphenyl)ethanamine (CID 64575724) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methyl-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-methyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methyl-1-(2-methylphenyl)ethanamine is CNC(CN1CCn2cnnc2C1)c1ccccc1C.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methyl-1-(2-methylphenyl)ethanamine?
The InChIKey is HXHGTGXVGWGVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-5-3-4-6-13(12)14(16-2)9-19-7-8-20-11-17-18-15(20)10-19/h3-6,11,14,16H,7-10H2,1-2H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methyl-1-(2-methylphenyl)ethanamine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methyl-1-(2-methylphenyl)ethanamine has a molecular weight of 271.37 g/mol, XLogP of 1.36, 4 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-methyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 64575724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).