6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H11ClN6S — CID 56868956

IUPAC6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccc(-n2cccn2)cc1-c1nn2c(C3CC3)nnc2s1
InChIInChI=1S/C15H11ClN6S/c16-12-5-4-10(21-7-1-6-17-21)8-11(12)14-20-22-13(9-2-3-9)18-19-15(22)23-14/h1,4-9H,2-3H2
InChIKeyGNWVUKNSFCLMOZ-UHFFFAOYSA-N
MW342.82 g/mol
LogP3.57
Rot. Bonds3

About 6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 56868956) has the molecular formula C15H11ClN6S and a molecular weight of 342.82 g/mol. Its IUPAC name is 6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID56868956
Molecular FormulaC15H11ClN6S
Molecular Weight342.82 g/mol
Exact Mass342.05
IUPAC Name6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccc(-n2cccn2)cc1-c1nn2c(C3CC3)nnc2s1
InChIInChI=1S/C15H11ClN6S/c16-12-5-4-10(21-7-1-6-17-21)8-11(12)14-20-22-13(9-2-3-9)18-19-15(22)23-14/h1,4-9H,2-3H2
InChIKeyGNWVUKNSFCLMOZ-UHFFFAOYSA-N
XLogP3.57
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

6-(2-chloro-5-pyrazol-1-ylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51054156
4-chloro-3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 106502405
5-chloro-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136991501
4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine
CID 114354411
2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-fluoroaniline
CID 114354376
3,6-dichloro-2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 107050348
4-bromo-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136991491
2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylaniline
CID 114355733
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylaniline
CID 114355483
3-chloro-2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 114355888
2,4-dibromo-6-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 114354445
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4,5-dimethylaniline
CID 114354248

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 56868956) is 6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Clc1ccc(-n2cccn2)cc1-c1nn2c(C3CC3)nnc2s1.
What is the InChIKey of 6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is GNWVUKNSFCLMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6S/c16-12-5-4-10(21-7-1-6-17-21)8-11(12)14-20-22-13(9-2-3-9)18-19-15(22)23-14/h1,4-9H,2-3H2.
What are the key properties of 6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 342.82 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-pyrazol-1-ylphenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 56868956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).