3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol

C13H11FN4O — CID 176959826

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1O
InChIInChI=1S/C13H11FN4O/c1-7-2-3-9(11(14)12(7)19)8-4-5-18-10(6-8)16-13(15)17-18/h2-6,19H,1H3,(H2,15,17)
InChIKeyOUDUSDZTRXFUKF-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.13
Rot. Bonds1

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol (PubChem CID 176959826) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol
PubChem CID176959826
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1O
InChIInChI=1S/C13H11FN4O/c1-7-2-3-9(11(14)12(7)19)8-4-5-18-10(6-8)16-13(15)17-18/h2-6,19H,1H3,(H2,15,17)
InChIKeyOUDUSDZTRXFUKF-UHFFFAOYSA-N
XLogP2.13
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluorobenzoic acid
CID 169003972
CID 175967095
CID 175967095
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluorobenzoic acid;hydrochloride
CID 169224460
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-(2-fluorophenyl)-3-hydroxypropyl]-6-methylbenzamide
CID 164740556
methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate
CID 169003913
7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556367
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 164740522
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxylic acid
CID 135304843
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 166595695
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 166595740
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-2-fluoropropyl]-2-fluoro-6-methylbenzamide
CID 163265642
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 164740500

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol (CID 176959826) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol is Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1O.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol?
The InChIKey is OUDUSDZTRXFUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-7-2-3-9(11(14)12(7)19)8-4-5-18-10(6-8)16-13(15)17-18/h2-6,19H,1H3,(H2,15,17).
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol has a molecular weight of 258.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methylphenol is sourced from PubChem (CID 176959826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).