6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C13H10N6S — CID 51052963

IUPAC6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCn1cc(-c2nn3c(-c4ccccc4)nnc3s2)cn1
InChIInChI=1S/C13H10N6S/c1-18-8-10(7-14-18)12-17-19-11(15-16-13(19)20-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyRWSZMKKNISIJER-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.25
Rot. Bonds2

About 6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 51052963) has the molecular formula C13H10N6S and a molecular weight of 282.33 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID51052963
Molecular FormulaC13H10N6S
Molecular Weight282.33 g/mol
Exact Mass282.07
IUPAC Name6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCn1cc(-c2nn3c(-c4ccccc4)nnc3s2)cn1
InChIInChI=1S/C13H10N6S/c1-18-8-10(7-14-18)12-17-19-11(15-16-13(19)20-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyRWSZMKKNISIJER-UHFFFAOYSA-N
XLogP2.25
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1,3-benzodioxol-5-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6620959
5-methyl-3-[3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,2-oxazole
CID 71702368
3-(1,3-benzodioxol-5-yl)-6-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42571421
3-(4-chlorophenyl)-6-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51043559
4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine
CID 114353319
3-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51052874
6-(3-tert-butyl-1-methylpyrazol-5-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51043338
3-phenyl-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30373904
3-(1-methylpyrazol-4-yl)-6-(2-pyridin-3-ylethenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71829722
3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16765074
6-(2,3-difluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42535571
6-[5-(4-chlorophenyl)furan-2-yl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4840957

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 51052963) is 6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cn1cc(-c2nn3c(-c4ccccc4)nnc3s2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is RWSZMKKNISIJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6S/c1-18-8-10(7-14-18)12-17-19-11(15-16-13(19)20-12)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 282.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 51052963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).