4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine

C20H23N5 — CID 72881047

IUPAC4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine
SMILESCN1CCCC(c2nc(-c3ccncc3)nn2Cc2ccccc2)C1
InChIInChI=1S/C20H23N5/c1-24-13-5-8-18(15-24)20-22-19(17-9-11-21-12-10-17)23-25(20)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3
InChIKeyBQAGAPUZTPAMPM-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.20
Rot. Bonds4

About 4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine

4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 72881047) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine
PubChem CID72881047
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine
SMILESCN1CCCC(c2nc(-c3ccncc3)nn2Cc2ccccc2)C1
InChIInChI=1S/C20H23N5/c1-24-13-5-8-18(15-24)20-22-19(17-9-11-21-12-10-17)23-25(20)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3
InChIKeyBQAGAPUZTPAMPM-UHFFFAOYSA-N
XLogP3.20
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine (CID 72881047) is 4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine is CN1CCCC(c2nc(-c3ccncc3)nn2Cc2ccccc2)C1.
What is the InChIKey of 4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is BQAGAPUZTPAMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-24-13-5-8-18(15-24)20-22-19(17-9-11-21-12-10-17)23-25(20)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3.
What are the key properties of 4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine?
4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 333.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 72881047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).