8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C14H16N6S — CID 58447043

IUPAC8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1csc(Cc2cnc(N3CCNCC3)c3nncn23)c1
InChIInChI=1S/C14H16N6S/c1-2-12(21-7-1)8-11-9-16-13(14-18-17-10-20(11)14)19-5-3-15-4-6-19/h1-2,7,9-10,15H,3-6,8H2
InChIKeyCXZAOGVDWOEJPK-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.19
Rot. Bonds3

About 8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine

8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 58447043) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID58447043
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1csc(Cc2cnc(N3CCNCC3)c3nncn23)c1
InChIInChI=1S/C14H16N6S/c1-2-12(21-7-1)8-11-9-16-13(14-18-17-10-20(11)14)19-5-3-15-4-6-19/h1-2,7,9-10,15H,3-6,8H2
InChIKeyCXZAOGVDWOEJPK-UHFFFAOYSA-N
XLogP1.19
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 58447043) is 8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine is c1csc(Cc2cnc(N3CCNCC3)c3nncn23)c1.
What is the InChIKey of 8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CXZAOGVDWOEJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-2-12(21-7-1)8-11-9-16-13(14-18-17-10-20(11)14)19-5-3-15-4-6-19/h1-2,7,9-10,15H,3-6,8H2.
What are the key properties of 8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 300.39 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperazin-1-yl-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 58447043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).