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

C15H15N5S — CID 71988432

IUPAC4-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
SMILESc1ccc(-c2nnc3n2CCN(Cc2cscn2)C3)cc1
InChIInChI=1S/C15H15N5S/c1-2-4-12(5-3-1)15-18-17-14-9-19(6-7-20(14)15)8-13-10-21-11-16-13/h1-5,10-11H,6-9H2
InChIKeyAUSCUJFAMCYNRU-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.42
Rot. Bonds3

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

4-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole (PubChem CID 71988432) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
PubChem CID71988432
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name4-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
SMILESc1ccc(-c2nnc3n2CCN(Cc2cscn2)C3)cc1
InChIInChI=1S/C15H15N5S/c1-2-4-12(5-3-1)15-18-17-14-9-19(6-7-20(14)15)8-13-10-21-11-16-13/h1-5,10-11H,6-9H2
InChIKeyAUSCUJFAMCYNRU-UHFFFAOYSA-N
XLogP2.42
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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)methyl]-1,3-thiazole?
The IUPAC name of 4-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole (CID 71988432) is 4-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole is c1ccc(-c2nnc3n2CCN(Cc2cscn2)C3)cc1.
What is the InChIKey of 4-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole?
The InChIKey is AUSCUJFAMCYNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-2-4-12(5-3-1)15-18-17-14-9-19(6-7-20(14)15)8-13-10-21-11-16-13/h1-5,10-11H,6-9H2.
What are the key properties of 4-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole?
4-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole has a molecular weight of 297.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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)methyl]-1,3-thiazole is sourced from PubChem (CID 71988432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).