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

C15H18N6S — CID 53391271

IUPAC8-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCN1CCN(c2ncc(Cc3cccs3)n3cnnc23)CC1
InChIInChI=1S/C15H18N6S/c1-19-4-6-20(7-5-19)14-15-18-17-11-21(15)12(10-16-14)9-13-3-2-8-22-13/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyRRHZYQDMFPKPDT-UHFFFAOYSA-N
MW314.42 g/mol
LogP1.53
Rot. Bonds3

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

8-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 53391271) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID53391271
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name8-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCN1CCN(c2ncc(Cc3cccs3)n3cnnc23)CC1
InChIInChI=1S/C15H18N6S/c1-19-4-6-20(7-5-19)14-15-18-17-11-21(15)12(10-16-14)9-13-3-2-8-22-13/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyRRHZYQDMFPKPDT-UHFFFAOYSA-N
XLogP1.53
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 53391271) is 8-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine is CN1CCN(c2ncc(Cc3cccs3)n3cnnc23)CC1.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is RRHZYQDMFPKPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-19-4-6-20(7-5-19)14-15-18-17-11-21(15)12(10-16-14)9-13-3-2-8-22-13/h2-3,8,10-11H,4-7,9H2,1H3.
What are the key properties of 8-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 314.42 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 53391271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).