2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C10H6N6O2S — CID 16618002

IUPAC2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1ccc(Sc2nc3ncccn3n2)nc1
InChIInChI=1S/C10H6N6O2S/c17-16(18)7-2-3-8(12-6-7)19-10-13-9-11-4-1-5-15(9)14-10/h1-6H
InChIKeyOWUKFCWRLIEKPR-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.58
Rot. Bonds3

About 2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine

2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 16618002) has the molecular formula C10H6N6O2S and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID16618002
Molecular FormulaC10H6N6O2S
Molecular Weight274.27 g/mol
Exact Mass274.03
IUPAC Name2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1ccc(Sc2nc3ncccn3n2)nc1
InChIInChI=1S/C10H6N6O2S/c17-16(18)7-2-3-8(12-6-7)19-10-13-9-11-4-1-5-15(9)14-10/h1-6H
InChIKeyOWUKFCWRLIEKPR-UHFFFAOYSA-N
XLogP1.58
TPSA99.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-methyl-2-nitrophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71971846
3-(4-nitrophenyl)-5-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 46481822
2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine
CID 15141761
N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 100926768
2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine
CID 18142857
2-(4-methylphenyl)sulfanyl-5-nitropyridine
CID 2800116
ethane;2-methylsulfanyl-5-nitropyridine
CID 142860412
2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 24605969
2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole
CID 31246665
(2R)-N,N-dimethyl-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 41353341
2-(3-phenylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 52544189
2-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine
CID 28754139

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 16618002) is 2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine is O=[N+]([O-])c1ccc(Sc2nc3ncccn3n2)nc1.
What is the InChIKey of 2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OWUKFCWRLIEKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O2S/c17-16(18)7-2-3-8(12-6-7)19-10-13-9-11-4-1-5-15(9)14-10/h1-6H.
What are the key properties of 2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 274.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 16618002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).