5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine

C8H8N4O2 — CID 166078724

IUPAC5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2ncnn2c(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H8N4O2/c1-5-3-7-9-4-10-11(7)6(2)8(5)12(13)14/h3-4H,1-2H3
InChIKeyWAIKNSWIBQWCNJ-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.25
Rot. Bonds1

About 5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine

5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 166078724) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID166078724
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2ncnn2c(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H8N4O2/c1-5-3-7-9-4-10-11(7)6(2)8(5)12(13)14/h3-4H,1-2H3
InChIKeyWAIKNSWIBQWCNJ-UHFFFAOYSA-N
XLogP1.25
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-(3-Nitrophenyl)[1,2,4]triazolo[4,3-a]pyridine
CID 1266290
[2,5-Dimethyl-3-(3-methyl-5-nitro-pyridin-2-yl)-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine
CID 11773483
[2,5-Dimethyl-3-(5-methyl-3-nitro-pyridin-2-yl)-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine
CID 44392657
[2,5-Dimethyl-3-(3-methyl-5-nitroso-pyridin-2-yl)-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine
CID 44392710
2-(3,5-dimethyl-4-propyl-1H-pyrazol-1-yl)-3-nitropyridine
CID 3749180
8-Nitrotetrazolo[1,5-a]pyridine
CID 307121
6-Nitrotetrazolo(1,5-a)pyridine
CID 346452
3-methyl-5-nitro-1H-pyrazolo[3,4-b]pyridine
CID 13371319
[2,5-Dimethyl-3-(5-methyl-3-nitroso-pyridin-2-yl)-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine
CID 44392782
6-(2-Phenylethenyl)imidazo[1,2-b]pyridazine
CID 49831048
6-Methyl-8-nitrotetrazolo[1,5-a]pyridine
CID 219471
6-(3-Nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 12726839

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine (CID 166078724) is 5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc2ncnn2c(C)c1[N+](=O)[O-].
What is the InChIKey of 5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WAIKNSWIBQWCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-5-3-7-9-4-10-11(7)6(2)8(5)12(13)14/h3-4H,1-2H3.
What are the key properties of 5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine?
5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 192.18 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-nitro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 166078724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).