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

C15H21N5 — CID 64575514

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)ethanamine
SMILESCCc1ccccc1C(CN)N1CCn2cnnc2C1
InChIInChI=1S/C15H21N5/c1-2-12-5-3-4-6-13(12)14(9-16)19-7-8-20-11-17-18-15(20)10-19/h3-6,11,14H,2,7-10,16H2,1H3
InChIKeyNDTSPXLQVZRASK-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)-2-(2-ethylphenyl)ethanamine

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)ethanamine (PubChem CID 64575514) 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)-2-(2-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)ethanamine
PubChem CID64575514
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)-2-(2-ethylphenyl)ethanamine
SMILESCCc1ccccc1C(CN)N1CCn2cnnc2C1
InChIInChI=1S/C15H21N5/c1-2-12-5-3-4-6-13(12)14(9-16)19-7-8-20-11-17-18-15(20)10-19/h3-6,11,14H,2,7-10,16H2,1H3
InChIKeyNDTSPXLQVZRASK-UHFFFAOYSA-N
XLogP1.36
TPSA59.97 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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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)ethanamine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)ethanamine (CID 64575514) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)ethanamine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)ethanamine is CCc1ccccc1C(CN)N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)ethanamine?
The InChIKey is NDTSPXLQVZRASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-12-5-3-4-6-13(12)14(9-16)19-7-8-20-11-17-18-15(20)10-19/h3-6,11,14H,2,7-10,16H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)ethanamine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)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)-2-(2-ethylphenyl)ethanamine is sourced from PubChem (CID 64575514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).