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

C18H19N5S — CID 71932676

IUPAC4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole
SMILESc1ccc(-c2nc(CN3CCn4c(nnc4C4CC4)C3)cs2)cc1
InChIInChI=1S/C18H19N5S/c1-2-4-14(5-3-1)18-19-15(12-24-18)10-22-8-9-23-16(11-22)20-21-17(23)13-6-7-13/h1-5,12-13H,6-11H2
InChIKeyZNKOXFKMUMMOLW-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.29
Rot. Bonds4

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

4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole (PubChem CID 71932676) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole
PubChem CID71932676
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC Name4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole
SMILESc1ccc(-c2nc(CN3CCn4c(nnc4C4CC4)C3)cs2)cc1
InChIInChI=1S/C18H19N5S/c1-2-4-14(5-3-1)18-19-15(12-24-18)10-22-8-9-23-16(11-22)20-21-17(23)13-6-7-13/h1-5,12-13H,6-11H2
InChIKeyZNKOXFKMUMMOLW-UHFFFAOYSA-N
XLogP3.29
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole (CID 71932676) is 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole is c1ccc(-c2nc(CN3CCn4c(nnc4C4CC4)C3)cs2)cc1.
What is the InChIKey of 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole?
The InChIKey is ZNKOXFKMUMMOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S/c1-2-4-14(5-3-1)18-19-15(12-24-18)10-22-8-9-23-16(11-22)20-21-17(23)13-6-7-13/h1-5,12-13H,6-11H2.
What are the key properties of 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole?
4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole has a molecular weight of 337.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 71932676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).