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

C20H23N5 — CID 11461755

IUPAC2-[4-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H23N5/c1-15-6-8-18(9-7-15)25-16(2)22-23-20(25)17-10-13-24(14-11-17)19-5-3-4-12-21-19/h3-9,12,17H,10-11,13-14H2,1-2H3
InChIKeySEXVTVLAOYMVCU-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.66
Rot. Bonds3

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

2-[4-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 11461755) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[4-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID11461755
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name2-[4-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H23N5/c1-15-6-8-18(9-7-15)25-16(2)22-23-20(25)17-10-13-24(14-11-17)19-5-3-4-12-21-19/h3-9,12,17H,10-11,13-14H2,1-2H3
InChIKeySEXVTVLAOYMVCU-UHFFFAOYSA-N
XLogP3.66
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.66
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-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 11461755) is 2-[4-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is Cc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-[4-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is SEXVTVLAOYMVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-15-6-8-18(9-7-15)25-16(2)22-23-20(25)17-10-13-24(14-11-17)19-5-3-4-12-21-19/h3-9,12,17H,10-11,13-14H2,1-2H3.
What are the key properties of 2-[4-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
2-[4-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 333.44 g/mol, XLogP of 3.66, 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-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 11461755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).