3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C19H14N6S — CID 10832244

IUPAC3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1ccccc1-c1nn2c(-c3cc4cccnc4nc3C)nnc2s1
InChIInChI=1S/C19H14N6S/c1-11-6-3-4-8-14(11)18-24-25-17(22-23-19(25)26-18)15-10-13-7-5-9-20-16(13)21-12(15)2/h3-10H,1-2H3
InChIKeyYTCWQGMVHZDBJZ-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.08
Rot. Bonds2

About 3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 10832244) has the molecular formula C19H14N6S and a molecular weight of 358.43 g/mol. Its IUPAC name is 3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID10832244
Molecular FormulaC19H14N6S
Molecular Weight358.43 g/mol
Exact Mass358.10
IUPAC Name3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1ccccc1-c1nn2c(-c3cc4cccnc4nc3C)nnc2s1
InChIInChI=1S/C19H14N6S/c1-11-6-3-4-8-14(11)18-24-25-17(22-23-19(25)26-18)15-10-13-7-5-9-20-16(13)21-12(15)2/h3-10H,1-2H3
InChIKeyYTCWQGMVHZDBJZ-UHFFFAOYSA-N
XLogP4.08
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 10832244) is 3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1ccccc1-c1nn2c(-c3cc4cccnc4nc3C)nnc2s1.
What is the InChIKey of 3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is YTCWQGMVHZDBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6S/c1-11-6-3-4-8-14(11)18-24-25-17(22-23-19(25)26-18)15-10-13-7-5-9-20-16(13)21-12(15)2/h3-10H,1-2H3.
What are the key properties of 3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 358.43 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,8-naphthyridin-3-yl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 10832244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).