7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C15H12FN7 — CID 126649391

IUPAC7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cnn(-c3ccc(F)cc3)c2)c2n[nH]nc2n1
InChIInChI=1S/C15H12FN7/c16-11-1-3-12(4-2-11)23-8-9(7-18-23)5-10-6-13(17)19-15-14(10)20-22-21-15/h1-4,6-8H,5H2,(H3,17,19,20,21,22)
InChIKeyJHOLDMZREIBHGM-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.85
Rot. Bonds3

About 7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126649391) has the molecular formula C15H12FN7 and a molecular weight of 309.31 g/mol. Its IUPAC name is 7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126649391
Molecular FormulaC15H12FN7
Molecular Weight309.31 g/mol
Exact Mass309.11
IUPAC Name7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cnn(-c3ccc(F)cc3)c2)c2n[nH]nc2n1
InChIInChI=1S/C15H12FN7/c16-11-1-3-12(4-2-11)23-8-9(7-18-23)5-10-6-13(17)19-15-14(10)20-22-21-15/h1-4,6-8H,5H2,(H3,17,19,20,21,22)
InChIKeyJHOLDMZREIBHGM-UHFFFAOYSA-N
XLogP1.85
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126649391) is 7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cnn(-c3ccc(F)cc3)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is JHOLDMZREIBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN7/c16-11-1-3-12(4-2-11)23-8-9(7-18-23)5-10-6-13(17)19-15-14(10)20-22-21-15/h1-4,6-8H,5H2,(H3,17,19,20,21,22).
What are the key properties of 7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 309.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126649391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).