3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one

C20H15ClN6OS — CID 54768888

IUPAC3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H15ClN6OS/c1-3-26-10-15(16(28)14-9-4-11(2)22-17(14)26)18-23-24-20-27(18)25-19(29-20)12-5-7-13(21)8-6-12/h4-10H,3H2,1-2H3
InChIKeyKXDSLXAQYJOOBW-UHFFFAOYSA-N
MW422.90 g/mol
LogP4.21
Rot. Bonds3

About 3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one

3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one (PubChem CID 54768888) has the molecular formula C20H15ClN6OS and a molecular weight of 422.90 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
PubChem CID54768888
Molecular FormulaC20H15ClN6OS
Molecular Weight422.90 g/mol
Exact Mass422.07
IUPAC Name3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H15ClN6OS/c1-3-26-10-15(16(28)14-9-4-11(2)22-17(14)26)18-23-24-20-27(18)25-19(29-20)12-5-7-13(21)8-6-12/h4-10H,3H2,1-2H3
InChIKeyKXDSLXAQYJOOBW-UHFFFAOYSA-N
XLogP4.21
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.90
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one (CID 54768888) is 3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one is CCn1cc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c(=O)c2ccc(C)nc21.
What is the InChIKey of 3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is KXDSLXAQYJOOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6OS/c1-3-26-10-15(16(28)14-9-4-11(2)22-17(14)26)18-23-24-20-27(18)25-19(29-20)12-5-7-13(21)8-6-12/h4-10H,3H2,1-2H3.
What are the key properties of 3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 422.90 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 54768888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).