2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole

C10H7N7O3S — CID 2210613

IUPAC2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCn1nc([N+](=O)[O-])nc1Sc1nnc(-c2cccnc2)o1
InChIInChI=1S/C10H7N7O3S/c1-16-9(12-8(15-16)17(18)19)21-10-14-13-7(20-10)6-3-2-4-11-5-6/h2-5H,1H3
InChIKeyDGACIFQYIJPYQV-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.32
Rot. Bonds4

About 2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole

2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 2210613) has the molecular formula C10H7N7O3S and a molecular weight of 305.28 g/mol. Its IUPAC name is 2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID2210613
Molecular FormulaC10H7N7O3S
Molecular Weight305.28 g/mol
Exact Mass305.03
IUPAC Name2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCn1nc([N+](=O)[O-])nc1Sc1nnc(-c2cccnc2)o1
InChIInChI=1S/C10H7N7O3S/c1-16-9(12-8(15-16)17(18)19)21-10-14-13-7(20-10)6-3-2-4-11-5-6/h2-5H,1H3
InChIKeyDGACIFQYIJPYQV-UHFFFAOYSA-N
XLogP1.32
TPSA125.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5,7-dinitroquinolin-8-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 30023550
2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 2466423
1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one
CID 975383
N-(2-methyl-3-nitrophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3604653
2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol
CID 3219549
N-(4-fluoro-3-nitrophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7907261
2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 5052252
2-[(4-nitrophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 556141
N-(methylcarbamoyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7879201
N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4899903
2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 39530703
1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 865345

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 2210613) is 2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole is Cn1nc([N+](=O)[O-])nc1Sc1nnc(-c2cccnc2)o1.
What is the InChIKey of 2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is DGACIFQYIJPYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N7O3S/c1-16-9(12-8(15-16)17(18)19)21-10-14-13-7(20-10)6-3-2-4-11-5-6/h2-5H,1H3.
What are the key properties of 2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 305.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 2210613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).