3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine

C21H15N7 — CID 118529419

IUPAC3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine
SMILESc1ccc(-c2nc(-c3cncc(-c4n[nH]c(-c5ccccc5)n4)c3)n[nH]2)cc1
InChIInChI=1S/C21H15N7/c1-3-7-14(8-4-1)18-23-20(27-25-18)16-11-17(13-22-12-16)21-24-19(26-28-21)15-9-5-2-6-10-15/h1-13H,(H,23,25,27)(H,24,26,28)
InChIKeyMWZQHVVNKTXPMV-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.99
Rot. Bonds4

About 3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine

3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 118529419) has the molecular formula C21H15N7 and a molecular weight of 365.40 g/mol. Its IUPAC name is 3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine
PubChem CID118529419
Molecular FormulaC21H15N7
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC Name3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine
SMILESc1ccc(-c2nc(-c3cncc(-c4n[nH]c(-c5ccccc5)n4)c3)n[nH]2)cc1
InChIInChI=1S/C21H15N7/c1-3-7-14(8-4-1)18-23-20(27-25-18)16-11-17(13-22-12-16)21-24-19(26-28-21)15-9-5-2-6-10-15/h1-13H,(H,23,25,27)(H,24,26,28)
InChIKeyMWZQHVVNKTXPMV-UHFFFAOYSA-N
XLogP3.99
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine (CID 118529419) is 3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine is c1ccc(-c2nc(-c3cncc(-c4n[nH]c(-c5ccccc5)n4)c3)n[nH]2)cc1.
What is the InChIKey of 3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine?
The InChIKey is MWZQHVVNKTXPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7/c1-3-7-14(8-4-1)18-23-20(27-25-18)16-11-17(13-22-12-16)21-24-19(26-28-21)15-9-5-2-6-10-15/h1-13H,(H,23,25,27)(H,24,26,28).
What are the key properties of 3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine?
3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine has a molecular weight of 365.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 118529419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).