4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine

C17H14N6S — CID 71926067

IUPAC4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine
SMILESc1ccc(-c2nnc3n2CCN(c2ncnc4sccc24)C3)cc1
InChIInChI=1S/C17H14N6S/c1-2-4-12(5-3-1)15-21-20-14-10-22(7-8-23(14)15)16-13-6-9-24-17(13)19-11-18-16/h1-6,9,11H,7-8,10H2
InChIKeyQSSJJMUHVBWABW-UHFFFAOYSA-N
MW334.41 g/mol
LogP2.97
Rot. Bonds2

About 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine

4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine (PubChem CID 71926067) has the molecular formula C17H14N6S and a molecular weight of 334.41 g/mol. Its IUPAC name is 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine
PubChem CID71926067
Molecular FormulaC17H14N6S
Molecular Weight334.41 g/mol
Exact Mass334.10
IUPAC Name4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine
SMILESc1ccc(-c2nnc3n2CCN(c2ncnc4sccc24)C3)cc1
InChIInChI=1S/C17H14N6S/c1-2-4-12(5-3-1)15-21-20-14-10-22(7-8-23(14)15)16-13-6-9-24-17(13)19-11-18-16/h1-6,9,11H,7-8,10H2
InChIKeyQSSJJMUHVBWABW-UHFFFAOYSA-N
XLogP2.97
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine (CID 71926067) is 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine is c1ccc(-c2nnc3n2CCN(c2ncnc4sccc24)C3)cc1.
What is the InChIKey of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine?
The InChIKey is QSSJJMUHVBWABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6S/c1-2-4-12(5-3-1)15-21-20-14-10-22(7-8-23(14)15)16-13-6-9-24-17(13)19-11-18-16/h1-6,9,11H,7-8,10H2.
What are the key properties of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine?
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine has a molecular weight of 334.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 71926067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).