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

C15H11Cl2N5OS — CID 66599295

IUPAC(2,4-dichlorophenyl)-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2cscn2)C1
InChIInChI=1S/C15H11Cl2N5OS/c16-9-1-2-10(11(17)5-9)15(23)21-3-4-22-13(6-21)19-20-14(22)12-7-24-8-18-12/h1-2,5,7-8H,3-4,6H2
InChIKeyIMHJGAYDAURTJG-UHFFFAOYSA-N
MW380.26 g/mol
LogP3.36
Rot. Bonds2

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

(2,4-dichlorophenyl)-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 66599295) has the molecular formula C15H11Cl2N5OS and a molecular weight of 380.26 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID66599295
Molecular FormulaC15H11Cl2N5OS
Molecular Weight380.26 g/mol
Exact Mass379.01
IUPAC Name(2,4-dichlorophenyl)-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2cscn2)C1
InChIInChI=1S/C15H11Cl2N5OS/c16-9-1-2-10(11(17)5-9)15(23)21-3-4-22-13(6-21)19-20-14(22)12-7-24-8-18-12/h1-2,5,7-8H,3-4,6H2
InChIKeyIMHJGAYDAURTJG-UHFFFAOYSA-N
XLogP3.36
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,4-dichlorophenyl)-[3-(1,3-thiazol-4-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 (2,4-dichlorophenyl)-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 66599295) is (2,4-dichlorophenyl)-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2cscn2)C1.
What is the InChIKey of (2,4-dichlorophenyl)-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is IMHJGAYDAURTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5OS/c16-9-1-2-10(11(17)5-9)15(23)21-3-4-22-13(6-21)19-20-14(22)12-7-24-8-18-12/h1-2,5,7-8H,3-4,6H2.
What are the key properties of (2,4-dichlorophenyl)-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(2,4-dichlorophenyl)-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 380.26 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 66599295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).