5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole

C13H15N7S — CID 53391184

IUPAC5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole
SMILESCN1CCN(c2ncc(-c3cncs3)n3cnnc23)CC1
InChIInChI=1S/C13H15N7S/c1-18-2-4-19(5-3-18)12-13-17-16-8-20(13)10(6-15-12)11-7-14-9-21-11/h6-9H,2-5H2,1H3
InChIKeyBQDRPPKMRJSPEU-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.00
Rot. Bonds2

About 5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole

5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole (PubChem CID 53391184) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole
PubChem CID53391184
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole
SMILESCN1CCN(c2ncc(-c3cncs3)n3cnnc23)CC1
InChIInChI=1S/C13H15N7S/c1-18-2-4-19(5-3-18)12-13-17-16-8-20(13)10(6-15-12)11-7-14-9-21-11/h6-9H,2-5H2,1H3
InChIKeyBQDRPPKMRJSPEU-UHFFFAOYSA-N
XLogP1.00
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole?
The IUPAC name of 5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole (CID 53391184) is 5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole.
What is the SMILES notation for 5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole?
The canonical SMILES for 5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole is CN1CCN(c2ncc(-c3cncs3)n3cnnc23)CC1.
What is the InChIKey of 5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole?
The InChIKey is BQDRPPKMRJSPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-18-2-4-19(5-3-18)12-13-17-16-8-20(13)10(6-15-12)11-7-14-9-21-11/h6-9H,2-5H2,1H3.
What are the key properties of 5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole?
5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole has a molecular weight of 301.38 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole is sourced from PubChem (CID 53391184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).