3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C23H16N6S — CID 30374057

IUPAC3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cc(-c3nn4c(Cc5cccc6ccccc56)nnc4s3)[nH]n2)cc1
InChIInChI=1S/C23H16N6S/c1-2-8-16(9-3-1)19-14-20(25-24-19)22-28-29-21(26-27-23(29)30-22)13-17-11-6-10-15-7-4-5-12-18(15)17/h1-12,14H,13H2,(H,24,25)
InChIKeyWUKCFOXQVHLYFX-UHFFFAOYSA-N
MW408.49 g/mol
LogP4.99
Rot. Bonds4

About 3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 30374057) has the molecular formula C23H16N6S and a molecular weight of 408.49 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID30374057
Molecular FormulaC23H16N6S
Molecular Weight408.49 g/mol
Exact Mass408.12
IUPAC Name3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cc(-c3nn4c(Cc5cccc6ccccc56)nnc4s3)[nH]n2)cc1
InChIInChI=1S/C23H16N6S/c1-2-8-16(9-3-1)19-14-20(25-24-19)22-28-29-21(26-27-23(29)30-22)13-17-11-6-10-15-7-4-5-12-18(15)17/h1-12,14H,13H2,(H,24,25)
InChIKeyWUKCFOXQVHLYFX-UHFFFAOYSA-N
XLogP4.99
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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

Launch Full Analysis

Related Compounds

3-phenyl-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30373904
6-(2-fluoro-4-pyridinyl)-3-(naphthalen-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42611388
3-benzyl-6-(2-phenylquinolin-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 18824104
3-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylquinolin-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16737954
5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine
CID 114353204
3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30372291
3-(3-methyl-4-nitrophenyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30373946
3-(3-phenyl-1H-pyrazol-5-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30372348
3-[(2-fluorophenyl)methyl]-6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11841773
6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30374222
6-(4-nitrophenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30372248
6-(3-iodophenyl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 17196034

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 30374057) is 3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc(-c2cc(-c3nn4c(Cc5cccc6ccccc56)nnc4s3)[nH]n2)cc1.
What is the InChIKey of 3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is WUKCFOXQVHLYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6S/c1-2-8-16(9-3-1)19-14-20(25-24-19)22-28-29-21(26-27-23(29)30-22)13-17-11-6-10-15-7-4-5-12-18(15)17/h1-12,14H,13H2,(H,24,25).
What are the key properties of 3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 408.49 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 30374057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).