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

C16H13Cl2N5O2 — CID 66599096

IUPAC(2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1cc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2Cl)C3)no1
InChIInChI=1S/C16H13Cl2N5O2/c1-9-7-12(21-25-9)15-20-19-13-8-22(5-6-23(13)15)16(24)10-3-2-4-11(17)14(10)18/h2-4,7H,5-6,8H2,1H3
InChIKeyLOTRNBAVJZGHGU-UHFFFAOYSA-N
MW378.22 g/mol
LogP3.20
Rot. Bonds2

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

(2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 66599096) has the molecular formula C16H13Cl2N5O2 and a molecular weight of 378.22 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID66599096
Molecular FormulaC16H13Cl2N5O2
Molecular Weight378.22 g/mol
Exact Mass377.04
IUPAC Name(2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1cc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2Cl)C3)no1
InChIInChI=1S/C16H13Cl2N5O2/c1-9-7-12(21-25-9)15-20-19-13-8-22(5-6-23(13)15)16(24)10-3-2-4-11(17)14(10)18/h2-4,7H,5-6,8H2,1H3
InChIKeyLOTRNBAVJZGHGU-UHFFFAOYSA-N
XLogP3.20
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 66599096) is (2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1cc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2Cl)C3)no1.
What is the InChIKey of (2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is LOTRNBAVJZGHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O2/c1-9-7-12(21-25-9)15-20-19-13-8-22(5-6-23(13)15)16(24)10-3-2-4-11(17)14(10)18/h2-4,7H,5-6,8H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 378.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 66599096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).