5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine

C17H17F3N6 — CID 156563600

IUPAC5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine
SMILESFC(F)(F)C(Nc1ccc(NCCn2cncn2)cn1)c1ccccc1
InChIInChI=1S/C17H17F3N6/c18-17(19,20)16(13-4-2-1-3-5-13)25-15-7-6-14(10-23-15)22-8-9-26-12-21-11-24-26/h1-7,10-12,16,22H,8-9H2,(H,23,25)
InChIKeyOHYRKUNTJYGWLG-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.50
Rot. Bonds7

About 5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine

5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine (PubChem CID 156563600) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is 5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine
PubChem CID156563600
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC Name5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine
SMILESFC(F)(F)C(Nc1ccc(NCCn2cncn2)cn1)c1ccccc1
InChIInChI=1S/C17H17F3N6/c18-17(19,20)16(13-4-2-1-3-5-13)25-15-7-6-14(10-23-15)22-8-9-26-12-21-11-24-26/h1-7,10-12,16,22H,8-9H2,(H,23,25)
InChIKeyOHYRKUNTJYGWLG-UHFFFAOYSA-N
XLogP3.50
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine (CID 156563600) is 5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine is FC(F)(F)C(Nc1ccc(NCCn2cncn2)cn1)c1ccccc1.
What is the InChIKey of 5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine?
The InChIKey is OHYRKUNTJYGWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6/c18-17(19,20)16(13-4-2-1-3-5-13)25-15-7-6-14(10-23-15)22-8-9-26-12-21-11-24-26/h1-7,10-12,16,22H,8-9H2,(H,23,25).
What are the key properties of 5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine?
5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine has a molecular weight of 362.36 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(1,2,4-triazol-1-yl)ethyl]-2-N-(2,2,2-trifluoro-1-phenylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 156563600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).