3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole

C21H13N11O — CID 141303040

IUPAC3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole
SMILESc1ccc(-c2c(-c3cccnc3)nc(-n3ccnn3)c(-c3ncn[nH]3)c2-c2cnon2)nc1
InChIInChI=1S/C21H13N11O/c1-2-7-23-14(5-1)17-16(15-11-27-33-30-15)18(20-24-12-26-29-20)21(32-9-8-25-31-32)28-19(17)13-4-3-6-22-10-13/h1-12H,(H,24,26,29)
InChIKeyDTQGQZBPVZCFQS-UHFFFAOYSA-N
MW435.41 g/mol
LogP2.62
Rot. Bonds5

About 3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole

3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole (PubChem CID 141303040) has the molecular formula C21H13N11O and a molecular weight of 435.41 g/mol. Its IUPAC name is 3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole
PubChem CID141303040
Molecular FormulaC21H13N11O
Molecular Weight435.41 g/mol
Exact Mass435.13
IUPAC Name3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole
SMILESc1ccc(-c2c(-c3cccnc3)nc(-n3ccnn3)c(-c3ncn[nH]3)c2-c2cnon2)nc1
InChIInChI=1S/C21H13N11O/c1-2-7-23-14(5-1)17-16(15-11-27-33-30-15)18(20-24-12-26-29-20)21(32-9-8-25-31-32)28-19(17)13-4-3-6-22-10-13/h1-12H,(H,24,26,29)
InChIKeyDTQGQZBPVZCFQS-UHFFFAOYSA-N
XLogP2.62
TPSA149.87 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole?
The IUPAC name of 3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole (CID 141303040) is 3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole is c1ccc(-c2c(-c3cccnc3)nc(-n3ccnn3)c(-c3ncn[nH]3)c2-c2cnon2)nc1.
What is the InChIKey of 3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole?
The InChIKey is DTQGQZBPVZCFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N11O/c1-2-7-23-14(5-1)17-16(15-11-27-33-30-15)18(20-24-12-26-29-20)21(32-9-8-25-31-32)28-19(17)13-4-3-6-22-10-13/h1-12H,(H,24,26,29).
What are the key properties of 3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole?
3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole has a molecular weight of 435.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-pyridin-2-yl-2-pyridin-3-yl-6-(triazol-1-yl)-5-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]-1,2,5-oxadiazole is sourced from PubChem (CID 141303040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).