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

C19H16FN5 — CID 130431877

IUPAC7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(Cc2ccccc2)c2ccccc2F)c2n[nH]nc2n1
InChIInChI=1S/C19H16FN5/c20-16-9-5-4-8-13(16)14(10-12-6-2-1-3-7-12)15-11-17(21)22-19-18(15)23-25-24-19/h1-9,11,14H,10H2,(H3,21,22,23,24,25)
InChIKeyKJVSDMSBCAPARU-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.45
Rot. Bonds4

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

7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130431877) has the molecular formula C19H16FN5 and a molecular weight of 333.37 g/mol. Its IUPAC name is 7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130431877
Molecular FormulaC19H16FN5
Molecular Weight333.37 g/mol
Exact Mass333.14
IUPAC Name7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(Cc2ccccc2)c2ccccc2F)c2n[nH]nc2n1
InChIInChI=1S/C19H16FN5/c20-16-9-5-4-8-13(16)14(10-12-6-2-1-3-7-12)15-11-17(21)22-19-18(15)23-25-24-19/h1-9,11,14H,10H2,(H3,21,22,23,24,25)
InChIKeyKJVSDMSBCAPARU-UHFFFAOYSA-N
XLogP3.45
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130431877) is 7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(Cc2ccccc2)c2ccccc2F)c2n[nH]nc2n1.
What is the InChIKey of 7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is KJVSDMSBCAPARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5/c20-16-9-5-4-8-13(16)14(10-12-6-2-1-3-7-12)15-11-17(21)22-19-18(15)23-25-24-19/h1-9,11,14H,10H2,(H3,21,22,23,24,25).
What are the key properties of 7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 333.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130431877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).