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

C15H21N5 — CID 64575343

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)CN2CCn3cnnc3C2)c1
InChIInChI=1S/C15H21N5/c1-11-3-4-12(2)13(7-11)14(16)8-19-5-6-20-10-17-18-15(20)9-19/h3-4,7,10,14H,5-6,8-9,16H2,1-2H3
InChIKeyRIZFWVIGJUZAPI-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.41
Rot. Bonds3

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanamine (PubChem CID 64575343) 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)-1-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanamine
PubChem CID64575343
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)-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)CN2CCn3cnnc3C2)c1
InChIInChI=1S/C15H21N5/c1-11-3-4-12(2)13(7-11)14(16)8-19-5-6-20-10-17-18-15(20)9-19/h3-4,7,10,14H,5-6,8-9,16H2,1-2H3
InChIKeyRIZFWVIGJUZAPI-UHFFFAOYSA-N
XLogP1.41
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.41
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-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanamine (CID 64575343) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(C(N)CN2CCn3cnnc3C2)c1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanamine?
The InChIKey is RIZFWVIGJUZAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-3-4-12(2)13(7-11)14(16)8-19-5-6-20-10-17-18-15(20)9-19/h3-4,7,10,14H,5-6,8-9,16H2,1-2H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanamine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanamine has a molecular weight of 271.37 g/mol, XLogP of 1.41, 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-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 64575343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).