5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C18H22N6O — CID 126874109

IUPAC5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CCC(COc3ccccn3)CC2)c1C
InChIInChI=1S/C18H22N6O/c1-13-14(2)22-18-20-12-21-24(18)17(13)23-9-6-15(7-10-23)11-25-16-5-3-4-8-19-16/h3-5,8,12,15H,6-7,9-11H2,1-2H3
InChIKeyUGOZSSMNPYPNGQ-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.43
Rot. Bonds4

About 5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 126874109) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID126874109
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CCC(COc3ccccn3)CC2)c1C
InChIInChI=1S/C18H22N6O/c1-13-14(2)22-18-20-12-21-24(18)17(13)23-9-6-15(7-10-23)11-25-16-5-3-4-8-19-16/h3-5,8,12,15H,6-7,9-11H2,1-2H3
InChIKeyUGOZSSMNPYPNGQ-UHFFFAOYSA-N
XLogP2.43
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5-(methoxymethyl)-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126874378
5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017019
5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017023
2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863934
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
7-[(3R,5S)-3,5-dimethylazepan-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 138053520
2-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazine
CID 126874169
1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133322811
1-methyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 126874144
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
CID 133321302
2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864362
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methyl-1-phenylmethanesulfonamide
CID 154582766

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 126874109) is 5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(N2CCC(COc3ccccn3)CC2)c1C.
What is the InChIKey of 5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is UGOZSSMNPYPNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-14(2)22-18-20-12-21-24(18)17(13)23-9-6-15(7-10-23)11-25-16-5-3-4-8-19-16/h3-5,8,12,15H,6-7,9-11H2,1-2H3.
What are the key properties of 5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 338.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126874109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).