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

C21H25N5O2 — CID 11625088

IUPAC2-methoxy-5-[3-methyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3C)CC2)cn1
InChIInChI=1S/C21H25N5O2/c1-15-6-4-5-7-19(15)28-18-10-12-25(13-11-18)21-24-23-16(2)26(21)17-8-9-20(27-3)22-14-17/h4-9,14,18H,10-13H2,1-3H3
InChIKeyFEZPTHLPTMCLCG-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.34
Rot. Bonds5

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

2-methoxy-5-[3-methyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine (PubChem CID 11625088) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-methoxy-5-[3-methyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[3-methyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine
PubChem CID11625088
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-methoxy-5-[3-methyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3C)CC2)cn1
InChIInChI=1S/C21H25N5O2/c1-15-6-4-5-7-19(15)28-18-10-12-25(13-11-18)21-24-23-16(2)26(21)17-8-9-20(27-3)22-14-17/h4-9,14,18H,10-13H2,1-3H3
InChIKeyFEZPTHLPTMCLCG-UHFFFAOYSA-N
XLogP3.34
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-methyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 2-methoxy-5-[3-methyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine (CID 11625088) is 2-methoxy-5-[3-methyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[3-methyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[3-methyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine is COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3C)CC2)cn1.
What is the InChIKey of 2-methoxy-5-[3-methyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
The InChIKey is FEZPTHLPTMCLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-6-4-5-7-19(15)28-18-10-12-25(13-11-18)21-24-23-16(2)26(21)17-8-9-20(27-3)22-14-17/h4-9,14,18H,10-13H2,1-3H3.
What are the key properties of 2-methoxy-5-[3-methyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
2-methoxy-5-[3-methyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine has a molecular weight of 379.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-methyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 11625088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).