2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole

C16H18N8S — CID 67258875

IUPAC2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)n2)n1
InChIInChI=1S/C16H18N8S/c1-9-8-25-16(18-9)14-20-13(23(4)22-14)6-5-12-19-15-11(3)17-7-10(2)24(15)21-12/h7-8H,5-6H2,1-4H3
InChIKeyYCRLCUKZUQCUES-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.09
Rot. Bonds4

About 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole

2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole (PubChem CID 67258875) has the molecular formula C16H18N8S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole
PubChem CID67258875
Molecular FormulaC16H18N8S
Molecular Weight354.44 g/mol
Exact Mass354.14
IUPAC Name2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)n2)n1
InChIInChI=1S/C16H18N8S/c1-9-8-25-16(18-9)14-20-13(23(4)22-14)6-5-12-19-15-11(3)17-7-10(2)24(15)21-12/h7-8H,5-6H2,1-4H3
InChIKeyYCRLCUKZUQCUES-UHFFFAOYSA-N
XLogP2.09
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole (CID 67258875) is 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole is Cc1csc(-c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)n2)n1.
What is the InChIKey of 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole?
The InChIKey is YCRLCUKZUQCUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8S/c1-9-8-25-16(18-9)14-20-13(23(4)22-14)6-5-12-19-15-11(3)17-7-10(2)24(15)21-12/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole?
2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole has a molecular weight of 354.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 67258875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).