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

C13H15N7S — CID 53391185

IUPAC2-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole
SMILESCN1CCN(c2ncc(-c3nccs3)n3cnnc23)CC1
InChIInChI=1S/C13H15N7S/c1-18-3-5-19(6-4-18)11-12-17-16-9-20(12)10(8-15-11)13-14-2-7-21-13/h2,7-9H,3-6H2,1H3
InChIKeySMWLOAXNLVLPGA-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.00
Rot. Bonds2

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

2-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole (PubChem CID 53391185) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole
PubChem CID53391185
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name2-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole
SMILESCN1CCN(c2ncc(-c3nccs3)n3cnnc23)CC1
InChIInChI=1S/C13H15N7S/c1-18-3-5-19(6-4-18)11-12-17-16-9-20(12)10(8-15-11)13-14-2-7-21-13/h2,7-9H,3-6H2,1H3
InChIKeySMWLOAXNLVLPGA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole?
The IUPAC name of 2-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole (CID 53391185) is 2-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole is CN1CCN(c2ncc(-c3nccs3)n3cnnc23)CC1.
What is the InChIKey of 2-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole?
The InChIKey is SMWLOAXNLVLPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-18-3-5-19(6-4-18)11-12-17-16-9-20(12)10(8-15-11)13-14-2-7-21-13/h2,7-9H,3-6H2,1H3.
What are the key properties of 2-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole?
2-[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 2-[8-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-1,3-thiazole is sourced from PubChem (CID 53391185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).