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

C20H23N5 — CID 11473073

IUPAC2-[4-[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCc1ccccc1-n1c(C)nnc1C1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H23N5/c1-15-7-3-4-8-18(15)25-16(2)22-23-20(25)17-10-13-24(14-11-17)19-9-5-6-12-21-19/h3-9,12,17H,10-11,13-14H2,1-2H3
InChIKeyWKPUTGWASCNKOY-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.66
Rot. Bonds3

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

2-[4-[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 11473073) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[4-[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID11473073
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name2-[4-[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCc1ccccc1-n1c(C)nnc1C1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H23N5/c1-15-7-3-4-8-18(15)25-16(2)22-23-20(25)17-10-13-24(14-11-17)19-9-5-6-12-21-19/h3-9,12,17H,10-11,13-14H2,1-2H3
InChIKeyWKPUTGWASCNKOY-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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Related Compounds

R121919
CID 9821250
3-(6-fluoropyridin-3-yl)-2-(4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl)pyridine
CID 91618245
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
PF-184563
CID 11237434
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
3,5-bis(2-methylpyridin-4-yl)-1H-1,2,4-triazole
CID 20309751
Jnj-42153605
CID 49765871
3-(Cyclopropylmethyl)-7-((4-phenyl-1-piperidinyl)methyl)-8-(trifluoromethyl)-1,2,4-triazolo(4,3-a)pyridine
CID 49822115
n3-[4-(1-Methyl-piperidin-4-yl)-phenyl]-1-pyridin-2-yl-1h-[1,2,4]triazole-3,5-diamine
CID 56593836
3-N-[3-(1-methylpiperidin-4-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 56593837

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 11473073) is 2-[4-[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is Cc1ccccc1-n1c(C)nnc1C1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[4-[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is WKPUTGWASCNKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-15-7-3-4-8-18(15)25-16(2)22-23-20(25)17-10-13-24(14-11-17)19-9-5-6-12-21-19/h3-9,12,17H,10-11,13-14H2,1-2H3.
What are the key properties of 2-[4-[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
2-[4-[5-methyl-4-(2-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-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 11473073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).