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]-5-methyl-1,3-thiazole

C16H18N8S — CID 67257973

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]-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)n2)s1
InChIInChI=1S/C16H18N8S/c1-9-7-17-11(3)15-19-12(21-24(9)15)5-6-13-20-14(22-23(13)4)16-18-8-10(2)25-16/h7-8H,5-6H2,1-4H3
InChIKeyQSHQYHQQHBUSIV-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]-5-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]-5-methyl-1,3-thiazole (PubChem CID 67257973) 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]-5-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]-5-methyl-1,3-thiazole
PubChem CID67257973
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]-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)n2)s1
InChIInChI=1S/C16H18N8S/c1-9-7-17-11(3)15-19-12(21-24(9)15)5-6-13-20-14(22-23(13)4)16-18-8-10(2)25-16/h7-8H,5-6H2,1-4H3
InChIKeyQSHQYHQQHBUSIV-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]-5-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]-5-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]-5-methyl-1,3-thiazole (CID 67257973) 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]-5-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]-5-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]-5-methyl-1,3-thiazole is Cc1cnc(-c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)n2)s1.
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]-5-methyl-1,3-thiazole?
The InChIKey is QSHQYHQQHBUSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8S/c1-9-7-17-11(3)15-19-12(21-24(9)15)5-6-13-20-14(22-23(13)4)16-18-8-10(2)25-16/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]-5-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]-5-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]-5-methyl-1,3-thiazole is sourced from PubChem (CID 67257973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).