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

C21H25N5 — CID 10383074

IUPAC2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCc1cccc(Cn2c(C)nnc2C2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C21H25N5/c1-16-6-5-7-18(14-16)15-26-17(2)23-24-21(26)19-9-12-25(13-10-19)20-8-3-4-11-22-20/h3-8,11,14,19H,9-10,12-13,15H2,1-2H3
InChIKeyCAWWYHJBQQRDKJ-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.72
Rot. Bonds4

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

2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 10383074) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID10383074
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCc1cccc(Cn2c(C)nnc2C2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C21H25N5/c1-16-6-5-7-18(14-16)15-26-17(2)23-24-21(26)19-9-12-25(13-10-19)20-8-3-4-11-22-20/h3-8,11,14,19H,9-10,12-13,15H2,1-2H3
InChIKeyCAWWYHJBQQRDKJ-UHFFFAOYSA-N
XLogP3.72
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane
CID 327606
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
3-(2-Pyridin-2-yl-2H-tetrazol-5-yl)-benzonitrile
CID 9813637
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 10383074) is 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is Cc1cccc(Cn2c(C)nnc2C2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is CAWWYHJBQQRDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-6-5-7-18(14-16)15-26-17(2)23-24-21(26)19-9-12-25(13-10-19)20-8-3-4-11-22-20/h3-8,11,14,19H,9-10,12-13,15H2,1-2H3.
What are the key properties of 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 347.47 g/mol, XLogP of 3.72, 4 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-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 10383074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).