4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine

C17H15N7 — CID 56711620

IUPAC4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine
SMILESc1ccc(CCc2nc(-c3ccnc(-n4cnnc4)c3)n[nH]2)cc1
InChIInChI=1S/C17H15N7/c1-2-4-13(5-3-1)6-7-15-21-17(23-22-15)14-8-9-18-16(10-14)24-11-19-20-12-24/h1-5,8-12H,6-7H2,(H,21,22,23)
InChIKeyXGJGWNHBBNPGLN-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.23
Rot. Bonds5

About 4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine

4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine (PubChem CID 56711620) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine.

Molecular Properties

Compound Name4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine
PubChem CID56711620
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine
SMILESc1ccc(CCc2nc(-c3ccnc(-n4cnnc4)c3)n[nH]2)cc1
InChIInChI=1S/C17H15N7/c1-2-4-13(5-3-1)6-7-15-21-17(23-22-15)14-8-9-18-16(10-14)24-11-19-20-12-24/h1-5,8-12H,6-7H2,(H,21,22,23)
InChIKeyXGJGWNHBBNPGLN-UHFFFAOYSA-N
XLogP2.23
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine with MolForge

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Related Compounds

2-methyl-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]aniline
CID 82568607
4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]aniline
CID 82568521
5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole
CID 62504307
3-phenyl-5-(1,2,4-triazol-4-ylmethyl)-1H-1,2,4-triazole
CID 50960134
3-(5-benzyl-1H-1,2,4-triazol-3-yl)aniline
CID 82568454
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
CID 114325427
5-butyl-3-[3-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole
CID 169210060
3-cyclopropyl-5-(2-phenylethyl)-1H-1,2,4-triazole
CID 61338115
2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine
CID 50962004
5-benzyl-3-(4-chlorophenyl)-1H-1,2,4-triazole
CID 912792
4-(5-benzyl-1H-1,2,4-triazol-3-yl)phenol
CID 918324
4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 91539462

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine?
The IUPAC name of 4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine (CID 56711620) is 4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine.
What is the SMILES notation for 4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine?
The canonical SMILES for 4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine is c1ccc(CCc2nc(-c3ccnc(-n4cnnc4)c3)n[nH]2)cc1.
What is the InChIKey of 4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine?
The InChIKey is XGJGWNHBBNPGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-2-4-13(5-3-1)6-7-15-21-17(23-22-15)14-8-9-18-16(10-14)24-11-19-20-12-24/h1-5,8-12H,6-7H2,(H,21,22,23).
What are the key properties of 4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine?
4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine has a molecular weight of 317.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine is sourced from PubChem (CID 56711620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).