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

C11H15N5S — CID 64574739

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine
SMILESNCC(c1cccs1)N1CCn2cnnc2C1
InChIInChI=1S/C11H15N5S/c12-6-9(10-2-1-5-17-10)15-3-4-16-8-13-14-11(16)7-15/h1-2,5,8-9H,3-4,6-7,12H2
InChIKeySXLHHXCOLVICGJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.86
Rot. Bonds3

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine (PubChem CID 64574739) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine
PubChem CID64574739
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine
SMILESNCC(c1cccs1)N1CCn2cnnc2C1
InChIInChI=1S/C11H15N5S/c12-6-9(10-2-1-5-17-10)15-3-4-16-8-13-14-11(16)7-15/h1-2,5,8-9H,3-4,6-7,12H2
InChIKeySXLHHXCOLVICGJ-UHFFFAOYSA-N
XLogP0.86
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 50.86
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-thiophen-2-ylethanamine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine (CID 64574739) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine is NCC(c1cccs1)N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine?
The InChIKey is SXLHHXCOLVICGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c12-6-9(10-2-1-5-17-10)15-3-4-16-8-13-14-11(16)7-15/h1-2,5,8-9H,3-4,6-7,12H2.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine has a molecular weight of 249.34 g/mol, XLogP of 0.86, 3 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-thiophen-2-ylethanamine is sourced from PubChem (CID 64574739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).