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

C16H23N5O — CID 126872857

IUPAC3-methyl-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methoxy]pyridine
SMILESCc1cccnc1OCC1CCN(Cc2nncn2C)CC1
InChIInChI=1S/C16H23N5O/c1-13-4-3-7-17-16(13)22-11-14-5-8-21(9-6-14)10-15-19-18-12-20(15)2/h3-4,7,12,14H,5-6,8-11H2,1-2H3
InChIKeyRDATXJRSUNAWJA-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.81
Rot. Bonds5

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

3-methyl-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methoxy]pyridine (PubChem CID 126872857) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-methyl-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-methyl-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methoxy]pyridine
PubChem CID126872857
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-methyl-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methoxy]pyridine
SMILESCc1cccnc1OCC1CCN(Cc2nncn2C)CC1
InChIInChI=1S/C16H23N5O/c1-13-4-3-7-17-16(13)22-11-14-5-8-21(9-6-14)10-15-19-18-12-20(15)2/h3-4,7,12,14H,5-6,8-11H2,1-2H3
InChIKeyRDATXJRSUNAWJA-UHFFFAOYSA-N
XLogP1.81
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methoxy]pyridine?
The IUPAC name of 3-methyl-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methoxy]pyridine (CID 126872857) is 3-methyl-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methoxy]pyridine.
What is the SMILES notation for 3-methyl-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methoxy]pyridine?
The canonical SMILES for 3-methyl-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methoxy]pyridine is Cc1cccnc1OCC1CCN(Cc2nncn2C)CC1.
What is the InChIKey of 3-methyl-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methoxy]pyridine?
The InChIKey is RDATXJRSUNAWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13-4-3-7-17-16(13)22-11-14-5-8-21(9-6-14)10-15-19-18-12-20(15)2/h3-4,7,12,14H,5-6,8-11H2,1-2H3.
What are the key properties of 3-methyl-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methoxy]pyridine?
3-methyl-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methoxy]pyridine has a molecular weight of 301.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methoxy]pyridine is sourced from PubChem (CID 126872857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).