7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one

C18H15ClN4OS — CID 166064762

IUPAC7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one
SMILESO=c1nc2n(nc1Cc1ccccc1)CN(c1ccc(Cl)cc1)CS2
InChIInChI=1S/C18H15ClN4OS/c19-14-6-8-15(9-7-14)22-11-23-18(25-12-22)20-17(24)16(21-23)10-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyCRCATDIPMGZRRT-UHFFFAOYSA-N
MW370.87 g/mol
LogP3.41
Rot. Bonds3

About 7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one

7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one (PubChem CID 166064762) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is 7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one.

Molecular Properties

Compound Name7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one
PubChem CID166064762
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one
SMILESO=c1nc2n(nc1Cc1ccccc1)CN(c1ccc(Cl)cc1)CS2
InChIInChI=1S/C18H15ClN4OS/c19-14-6-8-15(9-7-14)22-11-23-18(25-12-22)20-17(24)16(21-23)10-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyCRCATDIPMGZRRT-UHFFFAOYSA-N
XLogP3.41
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one?
The IUPAC name of 7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one (CID 166064762) is 7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one.
What is the SMILES notation for 7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one?
The canonical SMILES for 7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one is O=c1nc2n(nc1Cc1ccccc1)CN(c1ccc(Cl)cc1)CS2.
What is the InChIKey of 7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one?
The InChIKey is CRCATDIPMGZRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c19-14-6-8-15(9-7-14)22-11-23-18(25-12-22)20-17(24)16(21-23)10-13-4-2-1-3-5-13/h1-9H,10-12H2.
What are the key properties of 7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one?
7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one has a molecular weight of 370.87 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-(4-chlorophenyl)-2,4-dihydro-[1,2,4]triazino[3,2-b][1,3,5]thiadiazin-8-one is sourced from PubChem (CID 166064762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).