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

C15H11ClFN5OS — CID 66598958

IUPAC(2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2nccs2)C1
InChIInChI=1S/C15H11ClFN5OS/c16-11-7-9(17)1-2-10(11)15(23)21-4-5-22-12(8-21)19-20-13(22)14-18-3-6-24-14/h1-3,6-7H,4-5,8H2
InChIKeyZBQAVCBMSOLLDL-UHFFFAOYSA-N
MW363.81 g/mol
LogP2.85
Rot. Bonds2

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

(2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 66598958) has the molecular formula C15H11ClFN5OS and a molecular weight of 363.81 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID66598958
Molecular FormulaC15H11ClFN5OS
Molecular Weight363.81 g/mol
Exact Mass363.04
IUPAC Name(2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2nccs2)C1
InChIInChI=1S/C15H11ClFN5OS/c16-11-7-9(17)1-2-10(11)15(23)21-4-5-22-12(8-21)19-20-13(22)14-18-3-6-24-14/h1-3,6-7H,4-5,8H2
InChIKeyZBQAVCBMSOLLDL-UHFFFAOYSA-N
XLogP2.85
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 66598958) is (2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2nccs2)C1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is ZBQAVCBMSOLLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5OS/c16-11-7-9(17)1-2-10(11)15(23)21-4-5-22-12(8-21)19-20-13(22)14-18-3-6-24-14/h1-3,6-7H,4-5,8H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 363.81 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[3-(1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 66598958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).