6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H11N5OS — CID 931337

IUPAC6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1cccc(-c2nn3c(-c4ccncc4)nnc3s2)c1
InChIInChI=1S/C15H11N5OS/c1-21-12-4-2-3-11(9-12)14-19-20-13(17-18-15(20)22-14)10-5-7-16-8-6-10/h2-9H,1H3
InChIKeyVOTPZJVCGSCKIT-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.92
Rot. Bonds3

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

6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 931337) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID931337
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1cccc(-c2nn3c(-c4ccncc4)nnc3s2)c1
InChIInChI=1S/C15H11N5OS/c1-21-12-4-2-3-11(9-12)14-19-20-13(17-18-15(20)22-14)10-5-7-16-8-6-10/h2-9H,1H3
InChIKeyVOTPZJVCGSCKIT-UHFFFAOYSA-N
XLogP2.92
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 936091
CID 936091
CID 662931
CID 662931
CID 662681
CID 662681
CID 1234090
CID 1234090
CID 16414816
CID 16414816
CID 936130
CID 936130
CID 662259
CID 662259
CID 662380
CID 662380
CID 662866
CID 662866
CID 663133
CID 663133
CID 663229
CID 663229
CID 663279
CID 663279

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 931337) is 6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1cccc(-c2nn3c(-c4ccncc4)nnc3s2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is VOTPZJVCGSCKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-21-12-4-2-3-11(9-12)14-19-20-13(17-18-15(20)22-14)10-5-7-16-8-6-10/h2-9H,1H3.
What are the key properties of 6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 309.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 931337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).