7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C13H12FN5 — CID 126680077

IUPAC7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1cccc(Cc2cc(N)nc3n[nH]nc23)c1F
InChIInChI=1S/C13H12FN5/c1-7-3-2-4-8(11(7)14)5-9-6-10(15)16-13-12(9)17-19-18-13/h2-4,6H,5H2,1H3,(H3,15,16,17,18,19)
InChIKeyBFNXHPXHORARAF-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.97
Rot. Bonds2

About 7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126680077) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is 7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126680077
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC Name7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1cccc(Cc2cc(N)nc3n[nH]nc23)c1F
InChIInChI=1S/C13H12FN5/c1-7-3-2-4-8(11(7)14)5-9-6-10(15)16-13-12(9)17-19-18-13/h2-4,6H,5H2,1H3,(H3,15,16,17,18,19)
InChIKeyBFNXHPXHORARAF-UHFFFAOYSA-N
XLogP1.97
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
(8-Fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine
CID 6401723
2,6-Diphenyl-8-methyl-1-deazapurine
CID 16109426
2,6-Dphenyl-8-propyl-1-deazapurine
CID 16109427
7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126649391
Mpo-IN-4
CID 126650041
7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130450939
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
Dyrk1A-IN-4
CID 135335888
5-Amino-6-fluoro[1,2,3]triazolo[1,5-a]quinazoline-3-carbonitrile
CID 2804392
3-hydrazinyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
CID 5271119
3-hydrazinyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole
CID 6401261

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126680077) is 7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Cc1cccc(Cc2cc(N)nc3n[nH]nc23)c1F.
What is the InChIKey of 7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is BFNXHPXHORARAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c1-7-3-2-4-8(11(7)14)5-9-6-10(15)16-13-12(9)17-19-18-13/h2-4,6H,5H2,1H3,(H3,15,16,17,18,19).
What are the key properties of 7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 257.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126680077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).