2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline

C14H11F3N4O — CID 93206142

IUPAC2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
SMILESCOc1ccc(-c2nnc3ccc(C(F)(F)F)cn23)cc1N
InChIInChI=1S/C14H11F3N4O/c1-22-11-4-2-8(6-10(11)18)13-20-19-12-5-3-9(7-21(12)13)14(15,16)17/h2-7H,18H2,1H3
InChIKeyCAPMXVGUOVMPTQ-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.01
Rot. Bonds2

About 2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline

2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline (PubChem CID 93206142) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
PubChem CID93206142
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
SMILESCOc1ccc(-c2nnc3ccc(C(F)(F)F)cn23)cc1N
InChIInChI=1S/C14H11F3N4O/c1-22-11-4-2-8(6-10(11)18)13-20-19-12-5-3-9(7-21(12)13)14(15,16)17/h2-7H,18H2,1H3
InChIKeyCAPMXVGUOVMPTQ-UHFFFAOYSA-N
XLogP3.01
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 171358715
5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline
CID 82058683
2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 82058628
2-methoxy-5-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 63227108
4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine
CID 62787937
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
4-(2-methoxy-5-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 162576973
3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162667738
6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139760
6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080197
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 55087007
N-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
CID 43332186

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
The IUPAC name of 2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline (CID 93206142) is 2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline.
What is the SMILES notation for 2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
The canonical SMILES for 2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline is COc1ccc(-c2nnc3ccc(C(F)(F)F)cn23)cc1N.
What is the InChIKey of 2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
The InChIKey is CAPMXVGUOVMPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c1-22-11-4-2-8(6-10(11)18)13-20-19-12-5-3-9(7-21(12)13)14(15,16)17/h2-7H,18H2,1H3.
What are the key properties of 2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline has a molecular weight of 308.26 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline is sourced from PubChem (CID 93206142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).