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

C14H19N5 — CID 64575346

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CN2CCn3cnnc3C2)cc1
InChIInChI=1S/C14H19N5/c1-11-2-4-12(5-3-11)13(15)8-18-6-7-19-10-16-17-14(19)9-18/h2-5,10,13H,6-9,15H2,1H3
InChIKeyVRSJADVORFURRG-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.10
Rot. Bonds3

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine (PubChem CID 64575346) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine
PubChem CID64575346
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CN2CCn3cnnc3C2)cc1
InChIInChI=1S/C14H19N5/c1-11-2-4-12(5-3-11)13(15)8-18-6-7-19-10-16-17-14(19)9-18/h2-5,10,13H,6-9,15H2,1H3
InChIKeyVRSJADVORFURRG-UHFFFAOYSA-N
XLogP1.10
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.10
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)-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine (CID 64575346) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine is Cc1ccc(C(N)CN2CCn3cnnc3C2)cc1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine?
The InChIKey is VRSJADVORFURRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-2-4-12(5-3-11)13(15)8-18-6-7-19-10-16-17-14(19)9-18/h2-5,10,13H,6-9,15H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine has a molecular weight of 257.34 g/mol, XLogP of 1.10, 3 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)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 64575346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).