1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C10H8F3N5OS — CID 64576207

IUPAC1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1cscn1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H8F3N5OS/c11-10(12,13)9-16-15-7-3-17(1-2-18(7)9)8(19)6-4-20-5-14-6/h4-5H,1-3H2
InChIKeyZYEWRVQFSAQXDT-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.41
Rot. Bonds1

About 1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 64576207) has the molecular formula C10H8F3N5OS and a molecular weight of 303.27 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID64576207
Molecular FormulaC10H8F3N5OS
Molecular Weight303.27 g/mol
Exact Mass303.04
IUPAC Name1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1cscn1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H8F3N5OS/c11-10(12,13)9-16-15-7-3-17(1-2-18(7)9)8(19)6-4-20-5-14-6/h4-5H,1-3H2
InChIKeyZYEWRVQFSAQXDT-UHFFFAOYSA-N
XLogP1.41
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of 1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 64576207) is 1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for 1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for 1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1cscn1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is ZYEWRVQFSAQXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5OS/c11-10(12,13)9-16-15-7-3-17(1-2-18(7)9)8(19)6-4-20-5-14-6/h4-5H,1-3H2.
What are the key properties of 1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 303.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 64576207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).