3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C8H5F3N4O2 — CID 166102446

IUPAC3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2c([N+](=O)[O-])cc(C(F)(F)F)cn12
InChIInChI=1S/C8H5F3N4O2/c1-4-12-13-7-6(15(16)17)2-5(3-14(4)7)8(9,10)11/h2-3H,1H3
InChIKeyHGWRMRLNWIJIOJ-UHFFFAOYSA-N
MW246.15 g/mol
LogP1.96
Rot. Bonds1

About 3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 166102446) has the molecular formula C8H5F3N4O2 and a molecular weight of 246.15 g/mol. Its IUPAC name is 3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID166102446
Molecular FormulaC8H5F3N4O2
Molecular Weight246.15 g/mol
Exact Mass246.04
IUPAC Name3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2c([N+](=O)[O-])cc(C(F)(F)F)cn12
InChIInChI=1S/C8H5F3N4O2/c1-4-12-13-7-6(15(16)17)2-5(3-14(4)7)8(9,10)11/h2-3H,1H3
InChIKeyHGWRMRLNWIJIOJ-UHFFFAOYSA-N
XLogP1.96
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 51.96
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'}

Analyze 3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 83791604
ethane;1-methyl-2-nitro-4-(trifluoromethyl)benzene
CID 142902784
N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-nitro-4-(trifluoromethyl)aniline
CID 16572427
1-fluoro-2-methyl-3-nitro-5-(trifluoromethyl)benzene
CID 171030388
5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-1,2-oxazol-3-one
CID 14324454
1-iodo-2-methyl-3-nitro-5-(trifluoromethyl)benzene
CID 171016234
2-methylsulfanyl-3-nitro-5-(trifluoromethyl)pyridine
CID 125116609
2-iodo-1,3-dinitro-5-(trifluoromethyl)benzene
CID 141165200
2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole
CID 166102309
4-amino-5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thione
CID 134106307
1-(bromomethyl)-3-nitro-2,5-bis(trifluoromethyl)benzene
CID 134618123
2-[chloro(difluoro)methyl]-1-methoxy-4-nitro-6-(trifluoromethyl)benzimidazole
CID 22908770

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 166102446) is 3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2c([N+](=O)[O-])cc(C(F)(F)F)cn12.
What is the InChIKey of 3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HGWRMRLNWIJIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O2/c1-4-12-13-7-6(15(16)17)2-5(3-14(4)7)8(9,10)11/h2-3H,1H3.
What are the key properties of 3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 246.15 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 166102446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).