2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine

C19H21N5 — CID 11278622

IUPAC2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
SMILESCc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccccc1
InChIInChI=1S/C19H21N5/c1-15-21-22-19(24(15)17-7-3-2-4-8-17)16-10-13-23(14-11-16)18-9-5-6-12-20-18/h2-9,12,16H,10-11,13-14H2,1H3
InChIKeyHVGGDNWEFQHDDM-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.35
Rot. Bonds3

About 2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine

2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine (PubChem CID 11278622) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
PubChem CID11278622
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
SMILESCc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccccc1
InChIInChI=1S/C19H21N5/c1-15-21-22-19(24(15)17-7-3-2-4-8-17)16-10-13-23(14-11-16)18-9-5-6-12-20-18/h2-9,12,16H,10-11,13-14H2,1H3
InChIKeyHVGGDNWEFQHDDM-UHFFFAOYSA-N
XLogP3.35
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine (CID 11278622) is 2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine is Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccccc1.
What is the InChIKey of 2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine?
The InChIKey is HVGGDNWEFQHDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-15-21-22-19(24(15)17-7-3-2-4-8-17)16-10-13-23(14-11-16)18-9-5-6-12-20-18/h2-9,12,16H,10-11,13-14H2,1H3.
What are the key properties of 2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine?
2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine has a molecular weight of 319.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine is sourced from PubChem (CID 11278622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).