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

C15H21N5O — CID 64576464

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(C(CN)N2CCn3cnnc3C2)c1
InChIInChI=1S/C15H21N5O/c1-2-21-13-5-3-4-12(8-13)14(9-16)19-6-7-20-11-17-18-15(20)10-19/h3-5,8,11,14H,2,6-7,9-10,16H2,1H3
InChIKeyFDOYFLQAKPQMMY-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.19
Rot. Bonds5

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine (PubChem CID 64576464) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine
PubChem CID64576464
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(C(CN)N2CCn3cnnc3C2)c1
InChIInChI=1S/C15H21N5O/c1-2-21-13-5-3-4-12(8-13)14(9-16)19-6-7-20-11-17-18-15(20)10-19/h3-5,8,11,14H,2,6-7,9-10,16H2,1H3
InChIKeyFDOYFLQAKPQMMY-UHFFFAOYSA-N
XLogP1.19
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(3-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine (CID 64576464) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine is CCOc1cccc(C(CN)N2CCn3cnnc3C2)c1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine?
The InChIKey is FDOYFLQAKPQMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-21-13-5-3-4-12(8-13)14(9-16)19-6-7-20-11-17-18-15(20)10-19/h3-5,8,11,14H,2,6-7,9-10,16H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine has a molecular weight of 287.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-(3-ethoxyphenyl)ethanamine is sourced from PubChem (CID 64576464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).