7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C12H9F2N5 — CID 126678965

IUPAC7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2c(F)cccc2F)c2n[nH]nc2n1
InChIInChI=1S/C12H9F2N5/c13-8-2-1-3-9(14)7(8)4-6-5-10(15)16-12-11(6)17-19-18-12/h1-3,5H,4H2,(H3,15,16,17,18,19)
InChIKeyQEWIOOMOXLQDHR-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.80
Rot. Bonds2

About 7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126678965) has the molecular formula C12H9F2N5 and a molecular weight of 261.24 g/mol. Its IUPAC name is 7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126678965
Molecular FormulaC12H9F2N5
Molecular Weight261.24 g/mol
Exact Mass261.08
IUPAC Name7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2c(F)cccc2F)c2n[nH]nc2n1
InChIInChI=1S/C12H9F2N5/c13-8-2-1-3-9(14)7(8)4-6-5-10(15)16-12-11(6)17-19-18-12/h1-3,5H,4H2,(H3,15,16,17,18,19)
InChIKeyQEWIOOMOXLQDHR-UHFFFAOYSA-N
XLogP1.80
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.80
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
7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702630
(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
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
8-fluoro-3-hydrazinyl-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
CID 6401717

Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126678965) is 7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2c(F)cccc2F)c2n[nH]nc2n1.
What is the InChIKey of 7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is QEWIOOMOXLQDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N5/c13-8-2-1-3-9(14)7(8)4-6-5-10(15)16-12-11(6)17-19-18-12/h1-3,5H,4H2,(H3,15,16,17,18,19).
What are the key properties of 7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 261.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-difluorophenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126678965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).